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

Systemtic Name: (E)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N3CCCCC3)C4=CC=CC=C4)C

InChI

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