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

Systemtic Name: 5-azanyl-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C20H13N5O2 MolecularWeight: 355.34952

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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)N)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H13N5O2/c21-10-14(8-13-6-7-17-18(9-13)27-12-26-17)19-16(11-22)20(23)25(24-19)15-4-2-1-3-5-15/h1-9H,12,23H2/b14-8+