(E)-4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-but-2-enoate Formula: C21H17ClN3O3- MolecularWeight: 394.83098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3/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/h2-12,14H,13H2,1H3,(H,27,28)/p-1/b12-11+