(1R)-6,7-dimethoxy-N-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: (1R)-6,7-dimethoxy-N-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: (1R)-6,7-dimethoxy-N-[3-oxo-3-(3-pyridylmethylamino)propyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: (1R)-6,7-dimethoxy-N-[3-oxo-3-(3-pyridinylmethylamino)propyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: (1R)-6,7-dimethoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: (1R)-N-[3-keto-3-(3-pyridylmethylamino)propyl]-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)NCCC(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N4O4/c1-34-23-15-21-11-14-31(26(20-8-4-3-5-9-20)22(21)16-24(23)35-2)27(33)29-13-10-25(32)30-18-19-7-6-12-28-17-19/h3-9,12,15-17,26H,10-11,13-14,18H2,1-2H3,(H,29,33)(H,30,32)/t26-/m1/s1