methyl 1-oxidanylidene-2-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-oxo-2-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-oxo-2-(1-piperazinyl)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-piperazino-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)N4CCNCC4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)N4CCNCC4)C(=O)OC

InChI

InChI=1S/C24H27N3O6/c1-30-18-13-15(14-19(31-2)22(18)32-3)20-16-7-5-6-8-17(16)23(28)27(21(20)24(29)33-4)26-11-9-25-10-12-26/h5-8,13-14,25H,9-12H2,1-4H3