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

Systemtic Name: 2-[(3-acetamidophenyl)methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(3-acetamidophenyl)methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(3-acetamidophenyl)methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(3-acetamidophenyl)methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(3-acetamidobenzyl)-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H19BrN2O4 MolecularWeight: 491.33336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H19BrN2O4/c1-15(29)27-19-9-5-6-16(12-19)14-28-23(25(31)32)22(17-7-3-2-4-8-17)21-13-18(26)10-11-20(21)24(28)30/h2-13H,14H2,1H3,(H,27,29)(H,31,32)