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

Systemtic Name: [4-(4-bromanylisoquinolin-1-yl)-1-(phenylmethyl)piperidin-4-yl] benzoate Openeye Name: [1-benzyl-4-(4-bromo-1-isoquinolyl)-4-piperidyl] benzoate CAS Name: benzoic acid [4-(4-bromo-1-isoquinolinyl)-1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: [1-benzyl-4-(4-bromoisoquinolin-1-yl)piperidin-4-yl] benzoate Traditional Name: benzoic acid [1-benzyl-4-(4-bromo-1-isoquinolyl)-4-piperidyl] ester Formula: C28H25BrN2O2 MolecularWeight: 501.4143

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=NC=C(C3=CC=CC=C32)Br)OC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H25BrN2O2/c29-25-19-30-26(24-14-8-7-13-23(24)25)28(33-27(32)22-11-5-2-6-12-22)15-17-31(18-16-28)20-21-9-3-1-4-10-21/h1-14,19H,15-18,20H2