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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydroisocarbostyril Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-26-23(17-12-13-20(30-2)21(16-17)31-3)22(18-10-6-7-11-19(18)24(26)28)25(29)27-14-8-4-5-9-15-27/h6-7,10-13,16,22-23H,4-5,8-9,14-15H2,1-3H3