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

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(1S)-1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C27H29N3O5/c1-18(26(31)29-21-9-11-23(12-10-21)35-22-7-5-4-6-8-22)28-27(32)30-14-13-19-15-24(33-2)25(34-3)16-20(19)17-30/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,28,32)(H,29,31)/t18-/m0/s1