methyl (E)-2-cyano-3-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(3-phenyl-2-pyrazolin-1-yl)phenyl]acrylic acid methyl ester Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)N2CCC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC=C(C=C1)N2CCC(=N2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C20H17N3O2/c1-25-20(24)17(14-21)13-15-7-9-18(10-8-15)23-12-11-19(22-23)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3/b17-13+