(2S)-N-(cyanomethyl)-2-(2,2-diphenylethanoylamino)-3-(3-methylphenyl)propanamide

Systemtic Name: (2S)-N-(cyanomethyl)-2-(2,2-diphenylethanoylamino)-3-(3-methylphenyl)propanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(m-tolyl)propanamide CAS Name: (2S)-N-(cyanomethyl)-3-(3-methylphenyl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(3-methylphenyl)propanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(m-tolyl)propionamide Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)NCC#N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[C@@H](C(=O)NCC#N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H25N3O2/c1-19-9-8-10-20(17-19)18-23(25(30)28-16-15-27)29-26(31)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-14,17,23-24H,16,18H2,1H3,(H,28,30)(H,29,31)/t23-/m0/s1