(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)acrylonitrile Formula: C24H22FN5O MolecularWeight: 415.462783

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C24H22FN5O/c1-28-11-13-29(14-12-28)24(31)19(16-26)15-20-17-30(22-5-3-2-4-6-22)27-23(20)18-7-9-21(25)10-8-18/h2-10,15,17H,11-14H2,1H3/b19-15+