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

Systemtic Name: [2-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] ethanoate Openeye Name: [2-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] acetate CAS Name: acetic acid [2-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [2-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] acetate Traditional Name: acetic acid [2-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=CC=C3OC(=O)C)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=CC=C3OC(=O)C)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C29H26N4O4/c1-18-25(28(35)32(30-18)21-12-6-4-7-13-21)27(23-16-10-11-17-24(23)37-20(3)34)26-19(2)31-33(29(26)36)22-14-8-5-9-15-22/h4-17,27,30-31H,1-3H3