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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-(p-tolylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethoxy]-2-(4-methylbenzyl)-3,4-dihydroisocarbostyril Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC3=C(C2=O)C=CC=C3OCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC3=C(C2=O)C=CC=C3OCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N2O3/c1-19-9-11-20(12-10-19)17-27-16-13-21-22(25(27)29)7-6-8-23(21)30-18-24(28)26-14-4-2-3-5-15-26/h6-12H,2-5,13-18H2,1H3