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

Systemtic Name: 2-[(4-bromophenyl)methyl]-5-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(4-bromophenyl)methyl]-5-[2-(2-ethyl-1-piperidyl)-2-oxo-ethoxy]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(4-bromophenyl)methyl]-5-[2-(2-ethyl-1-piperidinyl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(4-bromophenyl)methyl]-5-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(4-bromobenzyl)-5-[2-(2-ethylpiperidino)-2-keto-ethoxy]-3,4-dihydroisocarbostyril Formula: C25H29BrN2O3 MolecularWeight: 485.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

CCC1CCCCN1C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H29BrN2O3/c1-2-20-6-3-4-14-28(20)24(29)17-31-23-8-5-7-22-21(23)13-15-27(25(22)30)16-18-9-11-19(26)12-10-18/h5,7-12,20H,2-4,6,13-17H2,1H3