dimethyl 6-(2-butoxy-2-oxidanylidene-ethyl)-3-phenyl-2H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: dimethyl 6-(2-butoxy-2-oxidanylidene-ethyl)-3-phenyl-2H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: dimethyl 6-(2-butoxy-2-oxo-ethyl)-3-phenyl-2H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate CAS Name: 6-(2-butoxy-2-oxoethyl)-3-phenyl-2H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-(2-butoxy-2-oxoethyl)-3-phenyl-2H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: 6-(2-butoxy-2-keto-ethyl)-3-phenyl-2H-pyrazol[5,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=CN2C(=C(C(N2C3=CC=CC=C3)C(=O)OC)C(=O)OC)C4=CC=CC=C41

Isomeric SMILES

CCCCOC(=O)CC1=CN2C(=C(C(N2C3=CC=CC=C3)C(=O)OC)C(=O)OC)C4=CC=CC=C41

InChI

InChI=1S/C27H28N2O6/c1-4-5-15-35-22(30)16-18-17-28-24(21-14-10-9-13-20(18)21)23(26(31)33-2)25(27(32)34-3)29(28)19-11-7-6-8-12-19/h6-14,17,25H,4-5,15-16H2,1-3H3