5-azanyl-3-[(Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C20H12BrN5O2 MolecularWeight: 434.24558

Click to see the large picture

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrN5O2/c21-16-8-18-17(27-11-28-18)7-12(16)6-13(9-22)19-15(10-23)20(24)26(25-19)14-4-2-1-3-5-14/h1-8H,11,24H2/b13-6+