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

Systemtic Name: 3-chloranyl-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]benzamide Openeye Name: 3-chloro-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]benzamide CAS Name: 3-chloro-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]benzamide IUPAC Name: 3-chloro-N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide Traditional Name: 3-chloro-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]benzamide Formula: C20H16ClN5O MolecularWeight: 377.82694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC(=CC=C3)Cl)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=O)C3=CC(=CC=C3)Cl)CCC#N

InChI

InChI=1S/C20H16ClN5O/c21-18-9-4-8-16(12-18)20(27)24-23-13-17-14-26(11-5-10-22)25-19(17)15-6-2-1-3-7-15/h1-4,6-9,12-14H,5,11H2,(H,24,27)/b23-13-