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

Systemtic Name: 6,7-dimethoxy-N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-(4-pyridylmethylamino)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(4-pyridylmethylamino)ethyl]-6,7-dimethoxy-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=C2CN(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=NC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O4/c1-34-24-15-21-10-13-31(18-22(21)16-25(24)35-2)27(33)30-23(14-19-6-4-3-5-7-19)26(32)29-17-20-8-11-28-12-9-20/h3-9,11-12,15-16,23H,10,13-14,17-18H2,1-2H3,(H,29,32)(H,30,33)/t23-/m0/s1