6,7-dimethoxy-N-[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(2-methylanilino)-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(o-toluidino)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(CC2=CC=CC=C2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C28H31N3O4/c1-19-9-7-8-12-23(19)29-27(32)24(15-20-10-5-4-6-11-20)30-28(33)31-14-13-21-16-25(34-2)26(35-3)17-22(21)18-31/h4-12,16-17,24H,13-15,18H2,1-3H3,(H,29,32)(H,30,33)/t24-/m0/s1