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

Systemtic Name: methyl 6-bromanyl-1-oxidanylidene-4-phenyl-2-(3-phenylpropyl)isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-1-oxo-4-phenyl-2-(3-phenylpropyl)isoquinoline-3-carboxylate CAS Name: 6-bromo-1-oxo-4-phenyl-2-(3-phenylpropyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-1-oxo-4-phenyl-2-(3-phenylpropyl)isoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-4-phenyl-2-(3-phenylpropyl)isoquinoline-3-carboxylic acid methyl ester Formula: C26H22BrNO3 MolecularWeight: 476.36178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22BrNO3/c1-31-26(30)24-23(19-12-6-3-7-13-19)22-17-20(27)14-15-21(22)25(29)28(24)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3