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

Systemtic Name: (3-cyanophenyl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (3-cyanophenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (3-cyanobenzyl) ester Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H17N3O2/c22-12-18-7-4-8-19(11-18)16-26-21(25)10-9-20-13-23-24(15-20)14-17-5-2-1-3-6-17/h1-11,13,15H,14,16H2/b10-9+