6-bromanyl-1-oxidanylidene-4-phenyl-2-[1-(phenylmethyl)piperidin-4-yl]isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[1-(phenylmethyl)piperidin-4-yl]isoquinoline-3-carboxylic acid Openeye Name: 2-(1-benzyl-4-piperidyl)-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-[1-(phenylmethyl)-4-piperidinyl]-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1-benzylpiperidin-4-yl)-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(1-benzyl-4-piperidyl)-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C28H25BrN2O3 MolecularWeight: 517.4137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C28H25BrN2O3/c29-21-11-12-23-24(17-21)25(20-9-5-2-6-10-20)26(28(33)34)31(27(23)32)22-13-15-30(16-14-22)18-19-7-3-1-4-8-19/h1-12,17,22H,13-16,18H2,(H,33,34)