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

Systemtic Name: methyl 6-bromanyl-1-oxidanylidene-4-phenyl-2-[3-(quinolin-2-ylcarbonylamino)propyl]isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-1-oxo-4-phenyl-2-[3-(quinoline-2-carbonylamino)propyl]isoquinoline-3-carboxylate CAS Name: 6-bromo-1-oxo-2-[3-[[oxo(2-quinolinyl)methyl]amino]propyl]-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-1-oxo-4-phenyl-2-[3-(quinoline-2-carbonylamino)propyl]isoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-4-phenyl-2-[3-(quinaldoylamino)propyl]isoquinoline-3-carboxylic acid methyl ester Formula: C30H24BrN3O4 MolecularWeight: 570.43326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCCNC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CCCNC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C30H24BrN3O4/c1-38-30(37)27-26(20-9-3-2-4-10-20)23-18-21(31)13-14-22(23)29(36)34(27)17-7-16-32-28(35)25-15-12-19-8-5-6-11-24(19)33-25/h2-6,8-15,18H,7,16-17H2,1H3,(H,32,35)