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

Systemtic Name: 5-azanyl-3-[(Z)-2-[3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]-1-cyano-ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-[3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-1-cyanoethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-[3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C22H15BrN6O2 MolecularWeight: 475.2975

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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)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN6O2/c1-30-19-11-14(10-18(23)21(19)31-8-7-24)9-15(12-25)20-17(13-26)22(27)29(28-20)16-5-3-2-4-6-16/h2-6,9-11H,8,27H2,1H3/b15-9+