3-methyl-2-(2-methylphenyl)-N-[(1S)-2-oxidanylidene-1-phenyl-propyl]-1H-isoquinoline-4-carboxamide

Systemtic Name: 3-methyl-2-(2-methylphenyl)-N-[(1S)-2-oxidanylidene-1-phenyl-propyl]-1H-isoquinoline-4-carboxamide Openeye Name: 3-methyl-2-(o-tolyl)-N-[(1S)-2-oxo-1-phenyl-propyl]-1H-isoquinoline-4-carboxamide CAS Name: 3-methyl-2-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenylpropyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 3-methyl-2-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenylpropyl]-1H-isoquinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-phenyl-propyl]-3-methyl-2-(o-tolyl)-1H-isoquinoline-4-carboxamide Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC3=CC=CC=C3C(=C2C)C(=O)NC(C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CC3=CC=CC=C3C(=C2C)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C27H26N2O2/c1-18-11-7-10-16-24(18)29-17-22-14-8-9-15-23(22)25(19(29)2)27(31)28-26(20(3)30)21-12-5-4-6-13-21/h4-16,26H,17H2,1-3H3,(H,28,31)/t26-/m1/s1