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

Systemtic Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile Openeye Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile CAS Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-5-(1-pyrrolyl)-4-pyrazolecarbonitrile IUPAC Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile Traditional Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile Formula: C24H15N5O2 MolecularWeight: 405.4082

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N4C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(/C#N)\C3=NN(C(=C3C#N)N4C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H15N5O2/c25-14-18(12-17-8-9-21-22(13-17)31-16-30-21)23-20(15-26)24(28-10-4-5-11-28)29(27-23)19-6-2-1-3-7-19/h1-13H,16H2/b18-12-