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

Systemtic Name: butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]amino]benzoate Openeye Name: butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]amino]benzoate CAS Name: 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate Traditional Name: 4-[[(4-chlorophenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]amino]benzoic acid butyl ester Formula: C29H30ClN3O3 MolecularWeight: 504.0198

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30ClN3O3/c1-4-5-19-36-29(35)22-13-17-24(18-14-22)31-27(21-11-15-23(30)16-12-21)26-20(2)32(3)33(28(26)34)25-9-7-6-8-10-25/h6-18,27,31H,4-5,19H2,1-3H3