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UAK

UAK
Name:	4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
Formula:	C15 H22 N2 O
SMILES:	CC1CCN(CC1)C(=O)N[CH](C)c2ccccc2
InChi:	InChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)16-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,18)/t13-/m1/s1
Definition date:	2021-02-09
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide

UAQ

UAQ
Name:	~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
Formula:	C12 H18 N2 O2
SMILES:	CC1CCN(CC1)C(=O)NCc2occc2
InChi:	InChI=1S/C12H18N2O2/c1-10-4-6-14(7-5-10)12(15)13-9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)
Definition date:	2021-02-09
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide

UAT

UAT
Name:	4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
Formula:	C14 H20 N2 O
SMILES:	CC1CCN(CC1)C(=O)NCc2ccccc2
InChi:	InChI=1S/C14H20N2O/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)
Definition date:	2021-02-09
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide

UAW

UAW
Name:	~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
Formula:	C13 H18 N2 O2
SMILES:	CC1CCN(CC1)C(=O)Nc2ccc(O)cc2
InChi:	InChI=1S/C13H18N2O2/c1-10-6-8-15(9-7-10)13(17)14-11-2-4-12(16)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,14,17)
Definition date:	2021-02-09
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide

UAZ

UAZ
Name:	~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
Formula:	C14 H20 N2 O2
SMILES:	COc1ccc(NC(=O)N2CCC(C)CC2)cc1
InChi:	InChI=1S/C14H20N2O2/c1-11-7-9-16(10-8-11)14(17)15-12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,15,17)
Definition date:	2021-02-09
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide

UB5

UB5
Name:	4-methyl-~{N}-pentyl-piperidine-1-carboxamide
Formula:	C12 H24 N2 O
SMILES:	CCCCCNC(=O)N1CCC(C)CC1
InChi:	InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)
Definition date:	2021-02-09
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	4-methyl-~{N}-pentyl-piperidine-1-carboxamide

UBN

UBN
Name:	4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide
Formula:	C15 H30 N2 O
SMILES:	CCCCCCCCNC(=O)N1CCC(C)CC1
InChi:	InChI=1S/C15H30N2O/c1-3-4-5-6-7-8-11-16-15(18)17-12-9-14(2)10-13-17/h14H,3-13H2,1-2H3,(H,16,18)
Definition date:	2021-02-09
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	4-methyl-~{N}-octyl-piperidine-1-carboxamide

UBQ

UBQ
Name:	4-methyl-~{N}-undecyl-pyridine-1-carboxamide
Formula:	C18 H36 N2 O
SMILES:	CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1
InChi:	InChI=1S/C18H36N2O/c1-3-4-5-6-7-8-9-10-11-14-19-18(21)20-15-12-17(2)13-16-20/h17H,3-16H2,1-2H3,(H,19,21)/p+1
Definition date:	2021-02-09
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	4-methyl-~{N}-undecyl-3,4,5,6-tetrahydro-2~{H}-pyridine-1-carboxamide

UD8

UD8
Name:	N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide
Formula:	C24 H36 N6 O6 S
SMILES:	CC1(C)O[CH]2CN(CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O)=O)nn3)C[CH](O)[CH]2O1
InChi:	InChI=1S/C24H36N6O6S/c1-24(2)35-21-16-29(15-20(31)22(21)36-24)11-5-3-4-6-12-30-14-18(27-28-30)13-26-23(32)17-7-9-19(10-8-17)37(25,33)34/h7-10,14,20-22,31H,3-6,11-13,15-16H2,1-2H3,(H,26,32)(H2,25,33,34)/t20-,21+,22+/m1/s1
Synonyms:	~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide
Definition date:	2021-02-10
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide

UDE

UDE
Name:	3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
Formula:	C20 H24 N8 O7 S
SMILES:	CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(CNC(=O)Nc4cccc(c4)[S](N)(=O)=O)nn3)C(=O)NC1=O
InChi:	InChI=1S/C20H24N8O7S/c1-11-8-27(20(32)24-18(11)30)17-6-15(16(10-29)35-17)28-9-13(25-26-28)7-22-19(31)23-12-3-2-4-14(5-12)36(21,33)34/h2-5,8-9,15-17,29H,6-7,10H2,1H3,(H2,21,33,34)(H2,22,23,31)(H,24,30,32)/t15-,16+,17+/m0/s1
Synonyms:	1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea
Definition date:	2021-02-10
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea

SQ2

SQ2
Name:	2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Formula:	C14 H18 N4 O
SMILES:	CC1CCN(CC1)C(=O)Cn2nnc3ccccc23
InChi:	InChI=1S/C14H18N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5,11H,6-10H2,1H3
Synonyms:	2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
Definition date:	2020-11-27
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone

SQ5

SQ5
Name:	(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione
Formula:	C15 H18 F N3 O2
SMILES:	Fc1cncc(c1)N2C(=O)N[CH](CC3CCCCC3)C2=O
InChi:	InChI=1S/C15H18FN3O2/c16-11-7-12(9-17-8-11)19-14(20)13(18-15(19)21)6-10-4-2-1-3-5-10/h7-10,13H,1-6H2,(H,18,21)/t13-/m0/s1
Synonyms:	(5~{S})-5-(cyclohexylmethyl)-3-(5-fluoranylpyridin-3-yl)imidazolidine-2,4-dione
Definition date:	2020-11-27
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	(5~{S})-5-(cyclohexylmethyl)-3-(5-fluoranylpyridin-3-yl)imidazolidine-2,4-dione

BKU

BKU
Name:	(1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
Formula:	C38 H54 Cl N3 O10 S2
SMILES:	c42cc(OC)c(Cl)c(N(C)C(=O)CC(C1(C)OC1C(C)C3OC(NC(C(OC)C=CC=C(C2)C)(C3)O)=O)OC(=O)C(C)N(C)C(=O)CC(C)(C)SSC)c4
InChi:	InChI=1S/C38H54ClN3O10S2/c1-21-13-12-14-28(49-10)38(47)19-27(50-35(46)40-38)22(2)33-37(6,52-33)29(51-34(45)23(3)41(7)31(44)20-36(4,5)54-53-11)18-30(43)42(8)25-16-24(15-21)17-26(48-9)32(25)39/h12-14,16-17,22-23,27-29,33,47H,15,18-20H2,1-11H3,(H,40,46)/b14-12+,21-13+/t22-,23-,27-,28-,29-,33-,37+,38+/m0/s1
Definition date:	2019-02-20
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	(1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)

CT6

CT6
Name:	(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE
Formula:	C18 H14 Br N5
SMILES:	Brc4cccc(c1nc3[n+](c(c1)NCc2ccncc2)ncc3)c4
InChi:	InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1
Definition date:	2005-11-08
Last modified:	2022-02-18
Identifier:	5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-pyrazolo[1,5-a]pyrimidin-8-ium

GF6

GF6
Name:	1-[3-(trifluoromethyl)phenyl]urea
Formula:	C8 H7 F3 N2 O
SMILES:	NC(=O)Nc1cccc(c1)C(F)(F)F
InChi:	InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)
Definition date:	2020-08-26
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	1-[3-(trifluoromethyl)phenyl]urea

6GI

6GI
Name:	13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine
Formula:	C26 H23 N7 O3
SMILES:	NC1=Nc2nc3cc4OCCCOc4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5
InChi:	InChI=1S/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)/t24-/m1/s1
Definition date:	2022-02-10
Last modified:	2022-02-18
Release date:	2022-02-23

HWX

HWX
Name:	2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid
Formula:	C11 H20 N4 O6
SMILES:	C[CH](NC(=O)[CH](CCNCC(O)=O)NC(C)=O)C(=O)NO
InChi:	InChI=1S/C11H20N4O6/c1-6(10(19)15-21)13-11(20)8(14-7(2)16)3-4-12-5-9(17)18/h6,8,12,21H,3-5H2,1-2H3,(H,13,20)(H,14,16)(H,15,19)(H,17,18)/t6-,8+/m1/s1
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid

HX6

HX6
Name:	N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide
Formula:	C14 H14 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1
InChi:	InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20)
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide

HX9

HX9
Name:	(2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid
Formula:	C14 H24 N4 O7
SMILES:	C[CH](NC(=O)[CH](CCC[CH](NC(C)=O)C(O)=O)NC(C)=O)C(=O)NO
InChi:	InChI=1S/C14H24N4O7/c1-7(12(21)18-25)15-13(22)10(16-8(2)19)5-4-6-11(14(23)24)17-9(3)20/h7,10-11,25H,4-6H2,1-3H3,(H,15,22)(H,16,19)(H,17,20)(H,18,21)(H,23,24)/t7-,10+,11-/m1/s1
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	(2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid

HXF

HXF
Name:	2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid
Formula:	C18 H26 N4 O6
SMILES:	C[CH](NC(=O)[CH](CCN(CC(O)=O)Cc1ccccc1)NC(C)=O)C(=O)NO
InChi:	InChI=1S/C18H26N4O6/c1-12(17(26)21-28)19-18(27)15(20-13(2)23)8-9-22(11-16(24)25)10-14-6-4-3-5-7-14/h3-7,12,15,28H,8-11H2,1-2H3,(H,19,27)(H,20,23)(H,21,26)(H,24,25)/t12-,15+/m1/s1
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid

HXO

HXO
Name:	(2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide
Formula:	C14 H20 N4 O6 S
SMILES:	C[CH](NC(=O)[CH](Cc1ccc(cc1)[S](N)(=O)=O)NC(C)=O)C(=O)NO
InChi:	InChI=1S/C14H20N4O6S/c1-8(13(20)18-22)16-14(21)12(17-9(2)19)7-10-3-5-11(6-4-10)25(15,23)24/h3-6,8,12,22H,7H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)(H2,15,23,24)/t8-,12+/m1/s1
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	(2~{S})-2-acetamido-~{N}-[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide

HXR

HXR
Name:	N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide
Formula:	C14 H14 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2ccc(CC(=O)NO)cc2
InChi:	InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20)
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide

HY6

HY6
Name:	N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide
Formula:	C10 H13 N3 O5 S
SMILES:	N[S](=O)(=O)c1ccc(CC(=O)NCC(=O)NO)cc1
InChi:	InChI=1S/C10H13N3O5S/c11-19(17,18)8-3-1-7(2-4-8)5-9(14)12-6-10(15)13-16/h1-4,16H,5-6H2,(H,12,14)(H,13,15)(H2,11,17,18)
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide

HY9

HY9
Name:	2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid
Formula:	C17 H30 N4 O6
SMILES:	C[CH](NC(=O)[CH](CCN(CC1CCCC1)CC(O)=O)NC(C)=O)C(=O)NO
InChi:	InChI=1S/C17H30N4O6/c1-11(16(25)20-27)18-17(26)14(19-12(2)22)7-8-21(10-15(23)24)9-13-5-3-4-6-13/h11,13-14,27H,3-10H2,1-2H3,(H,18,26)(H,19,22)(H,20,25)(H,23,24)/t11-,14+/m1/s1
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid

EIV

EIV
Name:	1-methyl-5-nitro-1H-imidazole
Formula:	C4 H5 N3 O2
SMILES:	[O-][N+](=O)c1cncn1C
InChi:	InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3
Definition date:	2021-12-07
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	1-methyl-5-nitro-1H-imidazole

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