5-azanyl-3-[(E)-1-cyano-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(E)-1-cyano-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(E)-1-cyano-2-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(E)-1-cyano-2-(1,3-dimethyl-2-oxo-5-benzimidazolyl)ethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(E)-1-cyano-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(E)-1-cyano-2-(2-keto-1,3-dimethyl-benzimidazol-5-yl)vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C18H17N7O2 MolecularWeight: 363.37328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)/C=C(/C#N)\C3=NN(C(=C3C#N)N)CCO)N(C1=O)C

InChI

InChI=1S/C18H17N7O2/c1-23-14-4-3-11(8-15(14)24(2)18(23)27)7-12(9-19)16-13(10-20)17(21)25(22-16)5-6-26/h3-4,7-8,26H,5-6,21H2,1-2H3/b12-7-