5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-isopentyl-1-[(2-methoxyphenyl)methyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-isoamyl-4-keto-1-o-anisyl-nicotinamide Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4OC

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4OC

InChI

InChI=1S/C29H33N3O4/c1-20(2)12-14-30-28(34)24-18-31(16-23-10-6-7-11-26(23)36-3)19-25(27(24)33)29(35)32-15-13-21-8-4-5-9-22(21)17-32/h4-11,18-20H,12-17H2,1-3H3,(H,30,34)