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

Systemtic Name: ethyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H26ClN3O3 MolecularWeight: 475.96664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C27H26ClN3O3/c1-4-34-27(33)20-12-16-22(17-13-20)29-25(19-10-14-21(28)15-11-19)24-18(2)30(3)31(26(24)32)23-8-6-5-7-9-23/h5-17,25,29H,4H2,1-3H3