[4-(4-bromanylisoquinolin-1-yl)-1-ethanoyl-piperidin-4-yl] benzoate

Systemtic Name: [4-(4-bromanylisoquinolin-1-yl)-1-ethanoyl-piperidin-4-yl] benzoate Openeye Name: [1-acetyl-4-(4-bromo-1-isoquinolyl)-4-piperidyl] benzoate CAS Name: benzoic acid [1-acetyl-4-(4-bromo-1-isoquinolinyl)-4-piperidinyl] ester IUPAC Name: [1-acetyl-4-(4-bromoisoquinolin-1-yl)piperidin-4-yl] benzoate Traditional Name: benzoic acid [1-acetyl-4-(4-bromo-1-isoquinolyl)-4-piperidyl] ester Formula: C23H21BrN2O3 MolecularWeight: 453.32844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C2=NC=C(C3=CC=CC=C32)Br)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)(C2=NC=C(C3=CC=CC=C32)Br)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21BrN2O3/c1-16(27)26-13-11-23(12-14-26,29-22(28)17-7-3-2-4-8-17)21-19-10-6-5-9-18(19)20(24)15-25-21/h2-10,15H,11-14H2,1H3