(E)-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]acrylate Formula: C21H19N2O2- MolecularWeight: 331.38776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)[O-])CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O2/c1-15-8-9-18(12-16(15)2)21-19(10-11-20(24)25)14-23(22-21)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,25)/p-1/b11-10+