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

Systemtic Name: (4-ethanoylphenyl) (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-acetylphenyl) (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (4-acetylphenyl) ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3/c1-16(24)19-8-10-20(11-9-19)26-21(25)12-7-18-13-22-23(15-18)14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3/b12-7+