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

Systemtic Name: butyl 4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(4-methylphenyl)methyl]amino]benzoate Openeye Name: butyl 4-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-(p-tolyl)methyl]amino]benzoate CAS Name: 4-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-(4-methylphenyl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]amino]benzoate Traditional Name: 4-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-(p-tolyl)methyl]amino]benzoic acid butyl ester Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C30H33N3O3/c1-5-6-20-36-30(35)24-16-18-25(19-17-24)31-28(23-14-12-21(2)13-15-23)27-22(3)32(4)33(29(27)34)26-10-8-7-9-11-26/h7-19,28,31H,5-6,20H2,1-4H3