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

Systemtic Name: 5-azanyl-3-[(Z)-2-(3-bromanyl-4,5-dimethoxy-phenyl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxy-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(3-bromo-4,5-dimethoxy-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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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)CCO)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN5O3/c1-25-14-7-10(6-13(18)16(14)26-2)5-11(8-19)15-12(9-20)17(21)23(22-15)3-4-24/h5-7,24H,3-4,21H2,1-2H3/b11-5+