5-azanyl-3-[(Z)-2-(5-bromanyl-2-phenylmethoxy-phenyl)-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-2-(5-bromanyl-2-phenylmethoxy-phenyl)-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(2-benzyloxy-5-bromo-phenyl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(5-bromo-2-phenylmethoxyphenyl)-1-cyanoethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(5-bromo-2-phenylmethoxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(2-benzoxy-5-bromo-phenyl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C26H18BrN5O MolecularWeight: 496.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=C(C#N)C3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=C(\C#N)/C3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C26H18BrN5O/c27-21-11-12-24(33-17-18-7-3-1-4-8-18)19(14-21)13-20(15-28)25-23(16-29)26(30)32(31-25)22-9-5-2-6-10-22/h1-14H,17,30H2/b20-13+