dimethyl 6-oxidanylidene-3-phenyl-1-(phenylcarbonyl)-4,5,7,8-tetrahydrocyclohepta[c]pyrazole-5,7-dicarboxylate

Systemtic Name: dimethyl 6-oxidanylidene-3-phenyl-1-(phenylcarbonyl)-4,5,7,8-tetrahydrocyclohepta[c]pyrazole-5,7-dicarboxylate Openeye Name: dimethyl 1-benzoyl-6-oxo-3-phenyl-4,5,7,8-tetrahydrocyclohepta[c]pyrazole-5,7-dicarboxylate CAS Name: 1-benzoyl-6-oxo-3-phenyl-4,5,7,8-tetrahydrocyclohepta[c]pyrazole-5,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzoyl-6-oxo-3-phenyl-4,5,7,8-tetrahydrocyclohepta[c]pyrazole-5,7-dicarboxylate Traditional Name: 1-benzoyl-6-keto-3-phenyl-4,5,7,8-tetrahydrocyclohepta[c]pyrazole-5,7-dicarboxylic acid dimethyl ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CC(C1=O)C(=O)OC)N(N=C2C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC2=C(CC(C1=O)C(=O)OC)N(N=C2C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O6/c1-32-24(30)18-13-17-20(14-19(22(18)28)25(31)33-2)27(23(29)16-11-7-4-8-12-16)26-21(17)15-9-5-3-6-10-15/h3-12,18-19H,13-14H2,1-2H3