[4-[2-cyclobutyl-4-ethyl-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-5-yl]phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-[2-cyclobutyl-4-ethyl-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-5-yl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[2-cyclobutyl-4-ethyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-5-yl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[2-cyclobutyl-4-ethyl-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrazol-5-yl]phenyl] ester IUPAC Name: [4-[2-cyclobutyl-4-ethyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-5-yl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[1-cyclobutyl-4-ethyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-3-yl]phenyl] ester Formula: C32H40N2O3 MolecularWeight: 500.6716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=C(C(=C4C=CC(=O)C=C4)N(N3)C5CCC5)CC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=C(C(=C4C=CC(=O)C=C4)N(N3)C5CCC5)CC

InChI

InChI=1S/C32H40N2O3/c1-3-5-7-22-10-12-25(13-11-22)32(36)37-28-20-16-23(17-21-28)30-29(4-2)31(24-14-18-27(35)19-15-24)34(33-30)26-8-6-9-26/h14-22,25-26,33H,3-13H2,1-2H3