[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 2-fluoranylbenzoate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C35H29FN4O5 MolecularWeight: 604.626963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4F)OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4F)OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C35H29FN4O5/c1-21-30(33(41)39(37-21)24-12-6-4-7-13-24)32(31-22(2)38-40(34(31)42)25-14-8-5-9-15-25)23-18-19-28(29(20-23)44-3)45-35(43)26-16-10-11-17-27(26)36/h4-20,32,37-38H,1-3H3