N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

Systemtic Name: N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide Openeye Name: N-(3-amino-1-benzyl-2,3-dioxo-propyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide CAS Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinecarboxamide IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide Traditional Name: N-(3-amino-1-benzyl-2,3-diketo-propyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)nicotinamide Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C=CC=N3)C(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=CC=N3)C(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)N)OC

InChI

InChI=1S/C27H28N4O5/c1-35-22-14-18-10-12-31(16-19(18)15-23(22)36-2)26-20(9-6-11-29-26)27(34)30-21(24(32)25(28)33)13-17-7-4-3-5-8-17/h3-9,11,14-15,21H,10,12-13,16H2,1-2H3,(H2,28,33)(H,30,34)