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

Systemtic Name: 6-bromanyl-2-[(2-ethanoylpiperidin-4-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(2-acetyl-4-piperidyl)methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(2-acetyl-4-piperidinyl)methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(2-acetylpiperidin-4-yl)methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[(2-acetyl-4-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)C1CC(CCN1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)C1CC(CCN1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

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