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

Systemtic Name: 2-[[4-[aminocarbonyl(methyl)carbamoyl]phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[carbamoyl(methyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[carbamoyl(methyl)amino]-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[carbamoyl(methyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[carbamoyl(methyl)carbamoyl]benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C26H20BrN3O5 MolecularWeight: 534.3581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20BrN3O5/c1-29(26(28)35)23(31)17-9-7-15(8-10-17)14-30-22(25(33)34)21(16-5-3-2-4-6-16)20-13-18(27)11-12-19(20)24(30)32/h2-13H,14H2,1H3,(H2,28,35)(H,33,34)