(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2/c1-31-23-12-10-19(11-13-23)24-21(18-29(27-24)22-8-4-2-5-9-22)16-20(17-26)25(30)28-14-6-3-7-15-28/h2,4-5,8-13,16,18H,3,6-7,14-15H2,1H3/b20-16+