N-[2-(cyanomethylcarbamoyl)cyclohexyl]-7-[(4-methylpiperazin-1-yl)methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-7-[(4-methylpiperazin-1-yl)methyl]-1H-indole-2-carboxamide Openeye Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-7-[(4-methylpiperazin-1-yl)methyl]-1H-indole-2-carboxamide CAS Name: N-[2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-7-[(4-methyl-1-piperazinyl)methyl]-1H-indole-2-carboxamide IUPAC Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-7-[(4-methylpiperazin-1-yl)methyl]-1H-indole-2-carboxamide Traditional Name: N-[2-(cyanomethylcarbamoyl)cyclohexyl]-7-[(4-methylpiperazino)methyl]-1H-indole-2-carboxamide Formula: C24H32N6O2 MolecularWeight: 436.54988

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC3=C2NC(=C3)C(=O)NC4CCCCC4C(=O)NCC#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC3=C2NC(=C3)C(=O)NC4CCCCC4C(=O)NCC#N

InChI

InChI=1S/C24H32N6O2/c1-29-11-13-30(14-12-29)16-18-6-4-5-17-15-21(27-22(17)18)24(32)28-20-8-3-2-7-19(20)23(31)26-10-9-25/h4-6,15,19-20,27H,2-3,7-8,10-14,16H2,1H3,(H,26,31)(H,28,32)