methyl 6-bromanyl-1-oxidanylidene-2-phenethyl-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 6-bromanyl-1-oxidanylidene-2-phenethyl-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-1-oxo-2-phenethyl-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-bromo-1-oxo-2-phenethyl-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-1-oxo-2-phenethyl-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-2-phenethyl-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C25H20BrNO3 MolecularWeight: 462.3352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20BrNO3/c1-30-25(29)23-22(18-10-6-3-7-11-18)21-16-19(26)12-13-20(21)24(28)27(23)15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3