2-azanyl-4-[ethanoyl(phenyl)amino]-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxidanylidene-5-piperidin-1-yl-pentanamide

Systemtic Name: 2-azanyl-4-[ethanoyl(phenyl)amino]-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxidanylidene-5-piperidin-1-yl-pentanamide Openeye Name: 4-(N-acetylanilino)-2-amino-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxo-5-(1-piperidyl)pentanamide CAS Name: 4-(N-acetylanilino)-2-amino-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxo-5-(1-piperidinyl)pentanamide IUPAC Name: 4-(N-acetylanilino)-2-amino-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxo-5-piperidin-1-ylpentanamide Traditional Name: 4-(N-acetylanilino)-2-amino-4-(1H-indol-3-ylmethyl)-5-keto-2-methyl-5-piperidino-valeramide Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C(CC2=CNC3=CC=CC=C32)(CC(C)(C(=O)N)N)C(=O)N4CCCCC4

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C(CC2=CNC3=CC=CC=C32)(CC(C)(C(=O)N)N)C(=O)N4CCCCC4

InChI

InChI=1S/C28H35N5O3/c1-20(34)33(22-11-5-3-6-12-22)28(19-27(2,30)25(29)35,26(36)32-15-9-4-10-16-32)17-21-18-31-24-14-8-7-13-23(21)24/h3,5-8,11-14,18,31H,4,9-10,15-17,19,30H2,1-2H3,(H2,29,35)