2-(3,4-diethoxyphenyl)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-(3,4-diethoxyphenyl)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(3,4-diethoxyphenyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(3,4-diethoxyphenyl)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(3,4-diethoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(3,4-diethoxyphenyl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylonitrile Formula: C29H27N3O2 MolecularWeight: 449.54358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=CC2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=CC2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N)OCC

InChI

InChI=1S/C29H27N3O2/c1-4-33-27-16-15-23(18-28(27)34-5-2)24(19-30)17-25-20-32(26-9-7-6-8-10-26)31-29(25)22-13-11-21(3)12-14-22/h6-18,20H,4-5H2,1-3H3