3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile

Systemtic Name: 3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile Openeye Name: 3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)vinyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile CAS Name: 3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-phenyl-5-(1-pyrrolyl)-4-pyrazolecarbonitrile IUPAC Name: 3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile Traditional Name: 3-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)vinyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C2=NN(C(=C2C#N)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(/C#N)\C2=NN(C(=C2C#N)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H21N5O3/c1-32-22-14-18(15-23(33-2)25(22)34-3)13-19(16-27)24-21(17-28)26(30-11-7-8-12-30)31(29-24)20-9-5-4-6-10-20/h4-15H,1-3H3/b19-13-