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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCNC(C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

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