6-bromanyl-2-[[4-[[(4-fluorophenyl)amino]carbamoyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[[4-[[(4-fluorophenyl)amino]carbamoyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-fluoroanilino)carbamoyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[(4-fluorophenyl)hydrazo]-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-fluoroanilino)carbamoyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[(4-fluoroanilino)carbamoyl]benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C30H21BrFN3O4 MolecularWeight: 586.407843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)C(=O)NNC5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)C(=O)NNC5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C30H21BrFN3O4/c31-21-10-15-24-25(16-21)26(19-4-2-1-3-5-19)27(30(38)39)35(29(24)37)17-18-6-8-20(9-7-18)28(36)34-33-23-13-11-22(32)12-14-23/h1-16,33H,17H2,(H,34,36)(H,38,39)