methyl 6-bromanyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 6-bromanyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-benzyl-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-bromo-1-oxo-4-phenyl-2-(phenylmethyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 2-benzyl-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C24H18BrNO3 MolecularWeight: 448.30862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18BrNO3/c1-29-24(28)22-21(17-10-6-3-7-11-17)20-14-18(25)12-13-19(20)23(27)26(22)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3