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

Systemtic Name: 5-azanyl-3-[(Z)-2-(3-bromanyl-4,5-dimethoxy-phenyl)-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxy-phenyl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxy-phenyl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C21H16BrN5O2 MolecularWeight: 450.28804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C21H16BrN5O2/c1-28-18-10-13(9-17(22)20(18)29-2)8-14(11-23)19-16(12-24)21(25)27(26-19)15-6-4-3-5-7-15/h3-10H,25H2,1-2H3/b14-8+