4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-butanoate CAS Name: 4-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoate Traditional Name: 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-butyrate Formula: C21H19ClN3O3- MolecularWeight: 396.84686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H20ClN3O3/c1-24(19(26)11-12-20(27)28)13-16-14-25(18-5-3-2-4-6-18)23-21(16)15-7-9-17(22)10-8-15/h2-10,14H,11-13H2,1H3,(H,27,28)/p-1