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

Systemtic Name: methyl 2-[(4-aminophenyl)methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 2-[(4-aminophenyl)methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-[(4-aminophenyl)methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-aminophenyl)methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 2-(4-aminobenzyl)-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C24H19BrN2O3 MolecularWeight: 463.32326

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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)N)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrN2O3/c1-30-24(29)22-21(16-5-3-2-4-6-16)20-13-17(25)9-12-19(20)23(28)27(22)14-15-7-10-18(26)11-8-15/h2-13H,14,26H2,1H3