3-cyanopropyl (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 3-cyanopropyl (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 3-cyanopropyl (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid 3-cyanopropyl ester Formula: C22H18FN3O2 MolecularWeight: 375.395623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=CC(=O)OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=C/C(=O)OCCCC#N

InChI

InChI=1S/C22H18FN3O2/c23-19-11-8-17(9-12-19)22-18(10-13-21(27)28-15-5-4-14-24)16-26(25-22)20-6-2-1-3-7-20/h1-3,6-13,16H,4-5,15H2/b13-10+