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

Systemtic Name: 5-chloranyl-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2-oxidanyl-benzamide Openeye Name: 5-chloro-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-hydroxy-benzamide CAS Name: 5-chloro-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-2-hydroxybenzamide IUPAC Name: 5-chloro-N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-2-hydroxybenzamide Traditional Name: 5-chloro-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-hydroxy-benzamide Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O2/c21-16-7-8-18(27)17(11-16)20(28)24-23-12-15-13-26(10-4-9-22)25-19(15)14-5-2-1-3-6-14/h1-3,5-8,11-13,27H,4,10H2,(H,24,28)/b23-12-