N-[2-(1-cyanoethylcarbamoyl)-5-methyl-cyclohexyl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[2-(1-cyanoethylcarbamoyl)-5-methyl-cyclohexyl]-1-methyl-indole-2-carboxamide Openeye Name: N-[2-(1-cyanoethylcarbamoyl)-5-methyl-cyclohexyl]-1-methyl-indole-2-carboxamide CAS Name: N-[2-[(1-cyanoethylamino)-oxomethyl]-5-methylcyclohexyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[2-(1-cyanoethylcarbamoyl)-5-methylcyclohexyl]-1-methylindole-2-carboxamide Traditional Name: N-[2-(1-cyanoethylcarbamoyl)-5-methyl-cyclohexyl]-1-methyl-indole-2-carboxamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)NC(=O)C2=CC3=CC=CC=C3N2C)C(=O)NC(C)C#N

Isomeric SMILES

CC1CCC(C(C1)NC(=O)C2=CC3=CC=CC=C3N2C)C(=O)NC(C)C#N

InChI

InChI=1S/C21H26N4O2/c1-13-8-9-16(20(26)23-14(2)12-22)17(10-13)24-21(27)19-11-15-6-4-5-7-18(15)25(19)3/h4-7,11,13-14,16-17H,8-10H2,1-3H3,(H,23,26)(H,24,27)