6-bromanyl-1-oxidanylidene-4-phenyl-2-(piperidin-4-ylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-(piperidin-4-ylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-(4-piperidylmethyl)isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-(4-piperidinylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-(piperidin-4-ylmethyl)isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-(4-piperidylmethyl)isoquinoline-3-carboxylic acid Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CNCCC1CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H21BrN2O3/c23-16-6-7-17-18(12-16)19(15-4-2-1-3-5-15)20(22(27)28)25(21(17)26)13-14-8-10-24-11-9-14/h1-7,12,14,24H,8-11,13H2,(H,27,28)