methyl 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]methyl]isoquinoline-3-carboxylate

Systemtic Name: methyl 6-bromanyl-1-oxidanylidene-4-phenyl-2-[[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]methyl]isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-1-oxo-4-phenyl-2-[[1-[2-(2-thienyl)acetyl]-4-piperidyl]methyl]isoquinoline-3-carboxylate CAS Name: 6-bromo-1-oxo-2-[[1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]methyl]-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-1-oxo-4-phenyl-2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]methyl]isoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-4-phenyl-2-[[1-[2-(2-thienyl)acetyl]-4-piperidyl]methyl]isoquinoline-3-carboxylic acid methyl ester Formula: C29H27BrN2O4S MolecularWeight: 579.50468

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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)CC4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3CCN(CC3)C(=O)CC4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C29H27BrN2O4S/c1-36-29(35)27-26(20-6-3-2-4-7-20)24-16-21(30)9-10-23(24)28(34)32(27)18-19-11-13-31(14-12-19)25(33)17-22-8-5-15-37-22/h2-10,15-16,19H,11-14,17-18H2,1H3