[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[[5-(4-chlorophenyl)-2-furanyl]methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-keto-ethyl] ester Formula: C24H19ClN2O5 MolecularWeight: 450.87106

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H19ClN2O5/c1-27(13-18-10-11-21(32-18)15-6-8-17(25)9-7-15)22(28)14-31-24(30)20-12-16-4-2-3-5-19(16)23(29)26-20/h2-12H,13-14H2,1H3,(H,26,29)