2-(benzimidazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: 2-(benzimidazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: 2-(benzimidazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-(1-benzimidazolyl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-(benzimidazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]acetamide Traditional Name: 2-(benzimidazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]acetamide Formula: C22H19N7O MolecularWeight: 397.43256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)CN3C=NC4=CC=CC=C43)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=O)CN3C=NC4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H19N7O/c23-11-6-12-29-14-18(22(27-29)17-7-2-1-3-8-17)13-25-26-21(30)15-28-16-24-19-9-4-5-10-20(19)28/h1-5,7-10,13-14,16H,6,12,15H2,(H,26,30)/b25-13-