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HKC

Summary

Name:	6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole
Formula:	C19 H16 N6 O2
Formal charge:	0
Formula weight:	360.369 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole
OpenEye OEToolkits	1.7.6	6,7-dimethoxy-3-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1nnnc1c5ccc(c4nnc3c2cc(OC)c(OC)cc2Cc34)cc5
InChI	InChI	1.03	InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25)
InChIKey	InChI	1.03	NDAAHSGATZAMOW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1cc2Cc3c([nH]nc3c4ccc(cc4)c5[nH]nnn5)c2cc1OC
SMILES	CACTVS	3.370	COc1cc2Cc3c([nH]nc3c4ccc(cc4)c5[nH]nnn5)c2cc1OC
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2
SMILES	OpenEye OEToolkits	1.7.6	COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2

222415

건을2024-07-10부터공개중

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