methyl 2-[[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 2-[[1-(1,3-benzodioxole-5-carbonyl)-4-piperidyl]methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-[[1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-piperidinyl]methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-4-phenyl-2-[(1-piperonyloyl-4-piperidyl)methyl]isoquinoline-3-carboxylic acid methyl ester Formula: C31H27BrN2O6 MolecularWeight: 603.45988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C31H27BrN2O6/c1-38-31(37)28-27(20-5-3-2-4-6-20)24-16-22(32)8-9-23(24)30(36)34(28)17-19-11-13-33(14-12-19)29(35)21-7-10-25-26(15-21)40-18-39-25/h2-10,15-16,19H,11-14,17-18H2,1H3