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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

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