methyl 4-[bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]benzoate

Systemtic Name: methyl 4-[bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]benzoate Openeye Name: methyl 4-[bis(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]benzoate CAS Name: 4-[bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]benzoate Traditional Name: 4-[bis(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]benzoic acid methyl ester Formula: C31H30N4O4 MolecularWeight: 522.5943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)OC)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C31H30N4O4/c1-20-26(29(36)34(32(20)3)24-12-8-6-9-13-24)28(22-16-18-23(19-17-22)31(38)39-5)27-21(2)33(4)35(30(27)37)25-14-10-7-11-15-25/h6-19,28H,1-5H3