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

Systemtic Name: 2-[(3-aminophenyl)methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(3-aminophenyl)methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(3-aminophenyl)methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(3-aminophenyl)methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(3-aminobenzyl)-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H17BrN2O3 MolecularWeight: 449.29668

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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(=CC=C4)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O3/c24-16-9-10-18-19(12-16)20(15-6-2-1-3-7-15)21(23(28)29)26(22(18)27)13-14-5-4-8-17(25)11-14/h1-12H,13,25H2,(H,28,29)