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

Systemtic Name: 6-bromanyl-2-[(1-ethanoylpiperidin-3-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(1-acetyl-3-piperidyl)methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(1-acetyl-3-piperidinyl)methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(1-acetylpiperidin-3-yl)methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[(1-acetyl-3-piperidyl)methyl]-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H23BrN2O4 MolecularWeight: 483.35442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)N1CCCC(C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H23BrN2O4/c1-15(28)26-11-5-6-16(13-26)14-27-22(24(30)31)21(17-7-3-2-4-8-17)20-12-18(25)9-10-19(20)23(27)29/h2-4,7-10,12,16H,5-6,11,13-14H2,1H3,(H,30,31)