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

Systemtic Name: [4-(4-bromanylisoquinolin-1-yl)-1-(phenylcarbonyl)piperidin-4-yl] benzoate Openeye Name: [1-benzoyl-4-(4-bromo-1-isoquinolyl)-4-piperidyl] benzoate CAS Name: benzoic acid [1-benzoyl-4-(4-bromo-1-isoquinolinyl)-4-piperidinyl] ester IUPAC Name: [1-benzoyl-4-(4-bromoisoquinolin-1-yl)piperidin-4-yl] benzoate Traditional Name: benzoic acid [1-benzoyl-4-(4-bromo-1-isoquinolyl)-4-piperidyl] ester Formula: C28H23BrN2O3 MolecularWeight: 515.39782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=NC=C(C3=CC=CC=C32)Br)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=NC=C(C3=CC=CC=C32)Br)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H23BrN2O3/c29-24-19-30-25(23-14-8-7-13-22(23)24)28(34-27(33)21-11-5-2-6-12-21)15-17-31(18-16-28)26(32)20-9-3-1-4-10-20/h1-14,19H,15-18H2