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

Systemtic Name: (E)-4-[methyl-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[methyl-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[methyl-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[methyl-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[methyl-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]amino]but-2-enoate Formula: C22H20N3O3- MolecularWeight: 374.4125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CN(C)C(=O)C=CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CN(C)C(=O)/C=C/C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-16-8-10-17(11-9-16)22-18(14-24(2)20(26)12-13-21(27)28)15-25(23-22)19-6-4-3-5-7-19/h3-13,15H,14H2,1-2H3,(H,27,28)/p-1/b13-12+