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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisocarbostyril Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O6/c1-28-25(17-10-11-20(32-2)21(14-17)33-3)24(27(31)29-12-8-6-7-9-13-29)18-15-22(34-4)23(35-5)16-19(18)26(28)30/h10-11,14-16,24-25H,6-9,12-13H2,1-5H3