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

Systemtic Name: 6-bromanyl-2-[[1-(methylcarbamoyl)piperidin-4-yl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[1-(methylcarbamoyl)-4-piperidyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[1-(methylcarbamoyl)-4-piperidinyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[1-(methylcarbamoyl)piperidin-4-yl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[[1-(methylcarbamoyl)-4-piperidyl]methyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H24BrN3O4 MolecularWeight: 498.36906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O4/c1-26-24(32)27-11-9-15(10-12-27)14-28-21(23(30)31)20(16-5-3-2-4-6-16)19-13-17(25)7-8-18(19)22(28)29/h2-8,13,15H,9-12,14H2,1H3,(H,26,32)(H,30,31)