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

Systemtic Name: 3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperidin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 2-(4-methylpiperidine-1-carbonyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: 3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-[(4-methyl-1-piperidinyl)-oxomethyl]-2-propenenitrile IUPAC Name: 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile Traditional Name: 2-(4-methylpiperidine-1-carbonyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylonitrile Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H26N4O/c1-19-8-10-21(11-9-19)25-23(18-30(28-25)24-6-4-3-5-7-24)16-22(17-27)26(31)29-14-12-20(2)13-15-29/h3-11,16,18,20H,12-15H2,1-2H3