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

Systemtic Name: methyl 6-bromanyl-2-[3-[2-(4-fluorophenyl)ethanoylamino]propyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-2-[3-[[2-(4-fluorophenyl)acetyl]amino]propyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-bromo-2-[3-[[2-(4-fluorophenyl)-1-oxoethyl]amino]propyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-[3-[[2-(4-fluorophenyl)acetyl]amino]propyl]-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-2-[3-[[2-(4-fluorophenyl)acetyl]amino]propyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C28H24BrFN2O4 MolecularWeight: 551.403563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCCNC(=O)CC3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCCNC(=O)CC3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C28H24BrFN2O4/c1-36-28(35)26-25(19-6-3-2-4-7-19)23-17-20(29)10-13-22(23)27(34)32(26)15-5-14-31-24(33)16-18-8-11-21(30)12-9-18/h2-4,6-13,17H,5,14-16H2,1H3,(H,31,33)