3,8-dimethyl-N-[(1S)-2-oxidanylidene-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 3,8-dimethyl-N-[(1S)-2-oxidanylidene-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 3,8-dimethyl-N-[(1S)-2-oxo-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 3,8-dimethyl-N-[(1S)-2-oxo-1-phenylpropyl]-2-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 3,8-dimethyl-N-[(1S)-2-oxo-1-phenylpropyl]-2-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-phenyl-propyl]-3,8-dimethyl-2-phenyl-1H-isoquinoline-4-carboxamide Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1CN(C(=C2C(=O)NC(C3=CC=CC=C3)C(=O)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1CN(C(=C2C(=O)N[C@@H](C3=CC=CC=C3)C(=O)C)C)C4=CC=CC=C4

InChI

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