7-[(Z)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-2-carboxamide

Systemtic Name: 7-[(Z)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-2-carboxamide Openeye Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-7-[(Z)-C-methyl-N-ureido-carbonimidoyl]-1H-indole-2-carboxamide CAS Name: 7-[(1Z)-1-(carbamoylhydrazinylidene)ethyl]-N-[2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-1H-indole-2-carboxamide IUPAC Name: 7-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-2-carboxamide Traditional Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-7-[(Z)-C-methyl-N-ureido-carbonimidoyl]-1H-indole-2-carboxamide Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)N)C1=CC=CC2=C1NC(=C2)C(=O)NC3CCCCC3C(=O)NCC#N

Isomeric SMILES

C/C(=N/NC(=O)N)/C1=CC=CC2=C1NC(=C2)C(=O)NC3CCCCC3C(=O)NCC#N

InChI

InChI=1S/C21H25N7O3/c1-12(27-28-21(23)31)14-7-4-5-13-11-17(25-18(13)14)20(30)26-16-8-3-2-6-15(16)19(29)24-10-9-22/h4-5,7,11,15-16,25H,2-3,6,8,10H2,1H3,(H,24,29)(H,26,30)(H3,23,28,31)/b27-12-