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

Systemtic Name: 5-azanyl-3-[(Z)-2-(5-bromanyl-2-prop-2-enoxy-phenyl)-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-[(Z)-2-(2-allyloxy-5-bromo-phenyl)-1-cyano-vinyl]-5-amino-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(5-bromo-2-prop-2-enoxyphenyl)-1-cyanoethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(5-bromo-2-prop-2-enoxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-[(Z)-2-(2-allyloxy-5-bromo-phenyl)-1-cyano-vinyl]-5-amino-1-phenyl-pyrazole-4-carbonitrile Formula: C22H16BrN5O MolecularWeight: 446.29934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)Br)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C22H16BrN5O/c1-2-10-29-20-9-8-17(23)12-15(20)11-16(13-24)21-19(14-25)22(26)28(27-21)18-6-4-3-5-7-18/h2-9,11-12H,1,10,26H2/b16-11+