(E)-4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-but-2-enoic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3/c1-16-9-10-18(13-17(16)2)23-19(14-25(3)21(27)11-12-22(28)29)15-26(24-23)20-7-5-4-6-8-20/h4-13,15H,14H2,1-3H3,(H,28,29)/b12-11+