5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-[(4-bromophenyl)methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-[(4-bromophenyl)methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-[(4-bromophenyl)methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-2-[(4-bromophenyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-bromophenyl)methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethoxy]-2-(4-bromobenzyl)-3,4-dihydroisocarbostyril Formula: C24H27BrN2O3 MolecularWeight: 471.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H27BrN2O3/c25-19-10-8-18(9-11-19)16-27-15-12-20-21(24(27)29)6-5-7-22(20)30-17-23(28)26-13-3-1-2-4-14-26/h5-11H,1-4,12-17H2