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

Systemtic Name: (Z)-3-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperidin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-[(4-methyl-1-piperidinyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-2-(4-methylpiperidine-1-carbonyl)-3-(1-phenyl-3-p-phenetyl-pyrazol-4-yl)acrylonitrile Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCC(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)N3CCC(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-3-33-25-11-9-21(10-12-25)26-23(19-31(29-26)24-7-5-4-6-8-24)17-22(18-28)27(32)30-15-13-20(2)14-16-30/h4-12,17,19-20H,3,13-16H2,1-2H3/b22-17-