N-[2-[(1-cyano-4-oxidanylidene-4-phenylazanyl-butyl)carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[2-[(1-cyano-4-oxidanylidene-4-phenylazanyl-butyl)carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Openeye Name: N-[2-[(4-anilino-1-cyano-4-oxo-butyl)carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide CAS Name: N-[2-[[(4-anilino-1-cyano-4-oxobutyl)amino]-oxomethyl]cyclohexyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[2-[(4-anilino-1-cyano-4-oxobutyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide Traditional Name: N-[2-[(4-anilino-1-cyano-4-keto-butyl)carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CCC(=O)NC4=CC=CC=C4)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CCC(=O)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C28H31N5O3/c1-33-24-14-8-5-9-19(24)17-25(33)28(36)32-23-13-7-6-12-22(23)27(35)31-21(18-29)15-16-26(34)30-20-10-3-2-4-11-20/h2-5,8-11,14,17,21-23H,6-7,12-13,15-16H2,1H3,(H,30,34)(H,31,35)(H,32,36)