4-(azepan-1-ylcarbonyl)-2,3-bis(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2,3-bis(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2,3-bis(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2,3-bis(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-2,3-bis(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2,3-bis(4-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)C(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)C(=O)N5CCCCCC5

InChI

InChI=1S/C30H32N2O4/c1-35-23-15-11-21(12-16-23)28-27(30(34)31-19-7-3-4-8-20-31)25-9-5-6-10-26(25)29(33)32(28)22-13-17-24(36-2)18-14-22/h5-6,9-18,27-28H,3-4,7-8,19-20H2,1-2H3