4-(azepan-1-ylcarbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(3-pyridyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-6,7-dimethoxy-2-methyl-3-(3-pyridinyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-methyl-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(3-pyridyl)-3,4-dihydroisocarbostyril Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCCCCC3)C4=CN=CC=C4

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C24H29N3O4/c1-26-22(16-9-8-10-25-15-16)21(24(29)27-11-6-4-5-7-12-27)17-13-19(30-2)20(31-3)14-18(17)23(26)28/h8-10,13-15,21-22H,4-7,11-12H2,1-3H3