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

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(benzylamino)-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(benzylamino)-2-keto-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:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H31N3O4/c1-34-25-16-22-13-14-31(19-23(22)17-26(25)35-2)28(33)30-24(15-20-9-5-3-6-10-20)27(32)29-18-21-11-7-4-8-12-21/h3-12,16-17,24H,13-15,18-19H2,1-2H3,(H,29,32)(H,30,33)/t24-/m0/s1