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9UM

9UM
Name:	3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
Formula:	C10 H11 Br N2 O2
SMILES:	C1(=O)C(C)=C(C)N2C(=C(C(=O)N12)C)CBr
InChi:	InChI=1S/C10H11BrN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3
Definition date:	2017-06-10
Last modified:	2024-09-27
Release date:	2018-01-03
Identifier:	3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

NQ0

NQ0
Name:	2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C18 H23 Cl2 N3 O2
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C18H23Cl2N3O2/c19-11-16(24)21-12-13-5-9-23(10-6-13)17(25)18(7-8-18)22-15-3-1-14(20)2-4-15/h1-4,13,22H,5-12H2,(H,21,24)
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide

NQ6

NQ6
Name:	N-(pyridin-2-yl)-L-asparagine
Formula:	C9 H11 N3 O3
SMILES:	O=C(Nc1ccccn1)CC(N)C(=O)O
InChi:	InChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13)/t6-/m0/s1
Definition date:	2022-04-07
Last modified:	2024-09-27
Release date:	2023-08-30
Identifier:	N-(pyridin-2-yl)-L-asparagine

9UY

9UY
Name:	3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C33 H38 N4 O6
SMILES:	C[CH]1[CH](C=C)C(=NC1=O)Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,19-20,34-35H,1-2,9-15H2,3-6H3,(H,38,39)(H,40,41)/t19-,20-/m1/s1
Synonyms:	Billeverdin IXa, bound form
Definition date:	2017-06-13
Last modified:	2024-09-27
Release date:	2017-06-21
Identifier:	3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

NQ9

NQ9
Name:	N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
Formula:	C21 H29 Cl2 N3 O3
SMILES:	N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl
InChi:	InChI=1S/C21H29Cl2N3O3/c22-13-19(27)25-14-15-7-11-26(12-8-15)20(28)21(9-5-17(24)6-10-21)29-18-3-1-16(23)2-4-18/h1-4,15,17H,5-14,24H2,(H,25,27)/t17-,21+
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	~{N}-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide

9V1

9V1
Name:	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl] methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]pro panoic acid
Formula:	C33 H40 N4 O6
SMILES:	CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,19-20,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41)/t19-,20-/m1/s1
Synonyms:	Billeverdin IXa, bound form
Definition date:	2017-06-13
Last modified:	2024-09-27
Release date:	2017-06-21
Identifier:	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

9V7

9V7
Name:	phenylcarbamic acid
Formula:	C7 H7 N O2
SMILES:	N(C(O)=O)c1ccccc1
InChi:	InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)
Definition date:	2017-06-13
Last modified:	2024-09-27
Release date:	2017-08-09
Identifier:	phenylcarbamic acid

NQL

NQL
Name:	2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H29 Cl N4 O2
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3
InChi:	InChI=1S/C20H29ClN4O2/c21-14-18(26)23-15-16-6-12-25(13-7-16)19(27)20(8-10-22-11-9-20)24-17-4-2-1-3-5-17/h1-5,16,22,24H,6-15H2,(H,23,26)
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide

9VD

9VD
Name:	(2S,3S)-2-amino-3-hydroxybutanal
Formula:	C4 H9 N O2
SMILES:	C(=O)C(C(O)C)N
InChi:	InChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h2-4,7H,5H2,1H3/t3-,4+/m0/s1
Definition date:	2017-06-13
Last modified:	2024-09-27
Release date:	2017-08-30
Identifier:	(2S,3S)-2-amino-3-hydroxybutanal

NQS

NQS
Name:	2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione
Formula:	C12 H10 O3 S
SMILES:	O=C2c1c(cccc1)C(=O)C(SCCO)=C2
InChi:	InChI=1S/C12H10O3S/c13-5-6-16-11-7-10(14)8-3-1-2-4-9(8)12(11)15/h1-4,7,13H,5-6H2
Definition date:	2014-04-24
Last modified:	2024-09-27
Release date:	2014-11-05
Identifier:	2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione

NQU

NQU
Name:	2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C21 H28 Cl2 N2 O3
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Oc3ccc(Cl)cc3
InChi:	InChI=1S/C21H28Cl2N2O3/c22-14-19(26)24-15-16-8-12-25(13-9-16)20(27)21(10-2-1-3-11-21)28-18-6-4-17(23)5-7-18/h4-7,16H,1-3,8-15H2,(H,24,26)
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide

9VP

9VP
Name:	5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
Formula:	C11 H18 F N O7
SMILES:	OC(=O)C1C(F)CC(C(O1)C(O)C(CO)O)NC(=O)C
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8-,9+,10-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
Definition date:	2017-06-15
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid

NR0

NR0
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide
Formula:	C13 H17 N7 O4
SMILES:	OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21
InChi:	InChI=1S/C13H17N7O4/c14-7-3-24-4-8(7)20(2-10(22)23)9(21)1-19-6-18-11-12(15)16-5-17-13(11)19/h5-8H,1-4,14H2,(H,22,23)(H2,15,16,17)/t7-,8-/m0/s1
Definition date:	2022-04-07
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

NR6

NR6
Name:	2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C18 H22 Cl2 N2 O3
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Oc3ccc(Cl)cc3
InChi:	InChI=1S/C18H22Cl2N2O3/c19-11-16(23)21-12-13-5-9-22(10-6-13)17(24)18(7-8-18)25-15-3-1-14(20)2-4-15/h1-4,13H,5-12H2,(H,21,23)
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide

NRL

NRL
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C12 H17 N5 O5
SMILES:	OC(=O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O
InChi:	InChI=1S/C12H17N5O5/c13-7-5-22-6-8(7)17(4-11(19)20)10(18)3-16-2-1-9(14)15-12(16)21/h1-2,7-8H,3-6,13H2,(H,19,20)(H2,14,15,21)/t7-,8-/m0/s1
Definition date:	2022-04-07
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine

NRO

NRO
Name:	3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
Formula:	C16 H15 N O5
SMILES:	[O-][N+](=O)/C(=Cc1oc(cc1)c2cccc(C(=O)O)c2)CCC
InChi:	InChI=1S/C16H15NO5/c1-2-4-13(17(20)21)10-14-7-8-15(22-14)11-5-3-6-12(9-11)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)/b13-10-
Definition date:	2008-03-17
Last modified:	2024-09-27
Identifier:	3-{5-[(1Z)-2-nitropent-1-en-1-yl]furan-2-yl}benzoic acid

9WV

9WV
Name:	beta-alanyl-3-amino-L-alanine
Formula:	C6 H13 N3 O3
SMILES:	NCC(NC(=O)CCN)C(O)=O
InChi:	InChI=1S/C6H13N3O3/c7-2-1-5(10)9-4(3-8)6(11)12/h4H,1-3,7-8H2,(H,9,10)(H,11,12)/t4-/m0/s1
Definition date:	2017-06-20
Last modified:	2024-09-27
Release date:	2017-10-04
Identifier:	beta-alanyl-3-amino-L-alanine

NSF

NSF
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C12 H15 I N4 O6
SMILES:	OC(=O)CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O
InChi:	InChI=1S/C12H15IN4O6/c13-6-1-16(12(22)15-11(6)21)2-9(18)17(3-10(19)20)8-5-23-4-7(8)14/h1,7-8H,2-5,14H2,(H,19,20)(H,15,21,22)/t7-,8-/m0/s1
Definition date:	2022-04-07
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

NSO

NSO
Name:	~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
Formula:	C28 H28 F N7 O
SMILES:	CN1CCN(CC1)c2ccc(Nc3nc(Nc4cccc(NC(=O)C=C)c4)c5cc(F)ccc5n3)cc2
InChi:	InChI=1S/C28H28FN7O/c1-3-26(37)30-21-5-4-6-22(18-21)31-27-24-17-19(29)7-12-25(24)33-28(34-27)32-20-8-10-23(11-9-20)36-15-13-35(2)14-16-36/h3-12,17-18H,1,13-16H2,2H3,(H,30,37)(H2,31,32,33,34)
Definition date:	2023-01-18
Last modified:	2024-09-27
Release date:	2023-08-23
Identifier:	~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide

NSU

NSU
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C13 H18 N4 O6
SMILES:	OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O
InChi:	InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1
Definition date:	2022-04-07
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

9XQ

9XQ
Name:	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium
Formula:	C8 H10 N3 O2
SMILES:	NC(=[NH2+])Nc1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1
Definition date:	2017-07-27
Last modified:	2024-09-27
Release date:	2018-06-06
Identifier:	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium

9XX

9XX
Name:	(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate
Formula:	C38 H74 O4
SMILES:	C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C
InChi:	InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1
Synonyms:	(S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate
Definition date:	2018-08-29
Last modified:	2024-09-27
Release date:	2018-11-14
Identifier:	(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate

9Y6

9Y6
Name:	(2E)-3-phenylprop-2-enal
Formula:	C9 H8 O
SMILES:	c1cccc(c1)C=[C@H]C=O
InChi:	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
Synonyms:	Trans-Cinnamaldehyde
Definition date:	2018-08-29
Last modified:	2024-09-27
Release date:	2019-08-14
Identifier:	(2E)-3-phenylprop-2-enal

NTA

NTA
Name:	NITRILOTRIACETIC ACID
Formula:	C6 H9 N O6
SMILES:	O=C(O)CN(CC(=O)O)CC(=O)O
InChi:	InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
Definition date:	1999-09-02
Last modified:	2024-09-27
Identifier:	2,2',2''-nitrilotriacetic acid

NTN

NTN
Name:	ISONICOTINAMIDINE
Formula:	C6 H7 N3
SMILES:	[N@H]=C(N)c1ccncc1
InChi:	InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8)
Definition date:	2001-04-16
Last modified:	2024-09-27
Identifier:	pyridine-4-carboximidamide

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