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

Systemtic Name: (1R)-6,7-dimethoxy-1-(4-methoxyphenyl)-N-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: (1R)-N-[(1S)-2-anilino-1-methyl-2-oxo-ethyl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: (1R)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: (1R)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: (1R)-N-[(1S)-2-anilino-2-keto-1-methyl-ethyl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)NC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)N2CCC3=CC(=C(C=C3[C@H]2C4=CC=C(C=C4)OC)OC)OC

InChI

InChI=1S/C28H31N3O5/c1-18(27(32)30-21-8-6-5-7-9-21)29-28(33)31-15-14-20-16-24(35-3)25(36-4)17-23(20)26(31)19-10-12-22(34-2)13-11-19/h5-13,16-18,26H,14-15H2,1-4H3,(H,29,33)(H,30,32)/t18-,26+/m0/s1