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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisocarbostyril Formula: C24H28N2O3 MolecularWeight: 392.49072

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c1-25-22(17-11-13-18(29-2)14-12-17)21(19-9-5-6-10-20(19)23(25)27)24(28)26-15-7-3-4-8-16-26/h5-6,9-14,21-22H,3-4,7-8,15-16H2,1-2H3