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

Systemtic Name: 2-[[4-(aminocarbamoyl)phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(4-carbazoylbenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H18BrN3O4 MolecularWeight: 492.32142

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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)NN)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)NN)C(=O)O

InChI

InChI=1S/C24H18BrN3O4/c25-17-10-11-18-19(12-17)20(15-4-2-1-3-5-15)21(24(31)32)28(23(18)30)13-14-6-8-16(9-7-14)22(29)27-26/h1-12H,13,26H2,(H,27,29)(H,31,32)