4-(7-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 4-(7-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(7-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanamide CAS Name: 4-(7-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(7-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide Traditional Name: N-benzyl-4-keto-4-(7-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butyramide Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCN(C2C3=CC=CC=C3)C(=O)CCC(=O)NCC4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CC2=C(CCN(C2C3=CC=CC=C3)C(=O)CCC(=O)NCC4=CC=CC=C4)C=C1

InChI

InChI=1S/C27H28N2O2/c1-20-12-13-22-16-17-29(27(24(22)18-20)23-10-6-3-7-11-23)26(31)15-14-25(30)28-19-21-8-4-2-5-9-21/h2-13,18,27H,14-17,19H2,1H3,(H,28,30)