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

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 3-chloranylbenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic 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] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C35H29ClN4O5 MolecularWeight: 621.08156

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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=C4)Cl)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=C4)Cl)OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C35H29ClN4O5/c1-21-30(33(41)39(37-21)26-13-6-4-7-14-26)32(31-22(2)38-40(34(31)42)27-15-8-5-9-16-27)23-17-18-28(29(20-23)44-3)45-35(43)24-11-10-12-25(36)19-24/h4-20,32,37-38H,1-3H3