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

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]acetamide Formula: C21H18N8O MolecularWeight: 398.42062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)CN3C4=CC=CC=C4N=N3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=O)CN3C4=CC=CC=C4N=N3)CCC#N

InChI

InChI=1S/C21H18N8O/c22-11-6-12-28-14-17(21(26-28)16-7-2-1-3-8-16)13-23-25-20(30)15-29-19-10-5-4-9-18(19)24-27-29/h1-5,7-10,13-14H,6,12,15H2,(H,25,30)/b23-13-