methyl 2-[(4-aminocarbonylphenyl)methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4

InChI

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