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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-benzyl-3,4-dihydroisoquinolin-1-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-benzyl-3,4-dihydroisoquinolin-1-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethoxy]-2-benzyl-3,4-dihydroisocarbostyril Formula: C24H28N2O3 MolecularWeight: 392.49072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c27-23(25-14-6-1-2-7-15-25)18-29-22-12-8-11-21-20(22)13-16-26(24(21)28)17-19-9-4-3-5-10-19/h3-5,8-12H,1-2,6-7,13-18H2