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

Systemtic Name: (1R)-N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: (1R)-N-[(1S)-1-benzyl-2-(cyclopropylamino)-2-oxo-ethyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: (1R)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: (1R)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: (1R)-N-[(1S)-1-benzyl-2-(cyclopropylamino)-2-keto-ethyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C30H33N3O4/c1-36-26-18-22-15-16-33(28(21-11-7-4-8-12-21)24(22)19-27(26)37-2)30(35)32-25(29(34)31-23-13-14-23)17-20-9-5-3-6-10-20/h3-12,18-19,23,25,28H,13-17H2,1-2H3,(H,31,34)(H,32,35)/t25-,28+/m0/s1