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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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