[3-[(E)-(2,5-diphenylpyrazol-3-yl)iminomethyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [3-[(E)-(2,5-diphenylpyrazol-3-yl)iminomethyl]phenyl] 4-tert-butylbenzoate Openeye Name: [3-[(E)-(2,5-diphenylpyrazol-3-yl)iminomethyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[(E)-(2,5-diphenyl-3-pyrazolyl)iminomethyl]phenyl] ester IUPAC Name: [3-[(E)-(2,5-diphenylpyrazol-3-yl)iminomethyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-[(E)-(2,5-diphenylpyrazol-3-yl)iminomethyl]phenyl] ester Formula: C33H29N3O2 MolecularWeight: 499.60226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3O2/c1-33(2,3)27-19-17-26(18-20-27)32(37)38-29-16-10-11-24(21-29)23-34-31-22-30(25-12-6-4-7-13-25)35-36(31)28-14-8-5-9-15-28/h4-23H,1-3H3/b34-23+