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

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-oxidanylidene-3-phenyl-1-phenylazanyl-propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-2-anilino-1-benzyl-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-anilino-1-benzyl-2-keto-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)OC

InChI

InChI=1S/C27H29N3O4/c1-33-24-16-20-13-14-30(18-21(20)17-25(24)34-2)27(32)29-23(15-19-9-5-3-6-10-19)26(31)28-22-11-7-4-8-12-22/h3-12,16-17,23H,13-15,18H2,1-2H3,(H,28,31)(H,29,32)/t23-/m0/s1