(4-pyrazol-1-ylphenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H20N4O2/c1-25(2)20-8-4-17(5-9-20)14-19(15-23)22(27)28-16-18-6-10-21(11-7-18)26-13-3-12-24-26/h3-14H,16H2,1-2H3/b19-14+