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

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2-phenylazanyl-ethanamide Openeye Name: 2-anilino-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-anilino-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-anilino-N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]acetamide Traditional Name: 2-anilino-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]acetamide Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)CNC3=CC=CC=C3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=O)CNC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H20N6O/c22-12-7-13-27-16-18(21(26-27)17-8-3-1-4-9-17)14-24-25-20(28)15-23-19-10-5-2-6-11-19/h1-6,8-11,14,16,23H,7,13,15H2,(H,25,28)/b24-14-