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

Systemtic Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-2-(4-methylpiperazine-1-carbonyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-2-(4-methylpiperazine-1-carbonyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylonitrile Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O/c1-19-8-10-20(11-9-19)24-22(18-30(27-24)23-6-4-3-5-7-23)16-21(17-26)25(31)29-14-12-28(2)13-15-29/h3-11,16,18H,12-15H2,1-2H3/b21-16+