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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[4-(phenylazanylcarbamoyl)phenyl]methyl]isoquinoline-3-carboxylic acid Openeye Name: 2-[[4-(anilinocarbamoyl)phenyl]methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-2-[[4-[oxo-(phenylhydrazo)methyl]phenyl]methyl]-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[[4-(anilinocarbamoyl)phenyl]methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[4-(anilinocarbamoyl)benzyl]-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C30H22BrN3O4 MolecularWeight: 568.41738

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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=CC=C5)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=CC=C5)C(=O)O

InChI

InChI=1S/C30H22BrN3O4/c31-22-15-16-24-25(17-22)26(20-7-3-1-4-8-20)27(30(37)38)34(29(24)36)18-19-11-13-21(14-12-19)28(35)33-32-23-9-5-2-6-10-23/h1-17,32H,18H2,(H,33,35)(H,37,38)