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

Systemtic Name: 4-azanyl-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]benzamide Openeye Name: 4-amino-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]benzamide CAS Name: 4-amino-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]benzamide IUPAC Name: 4-amino-N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide Traditional Name: 4-amino-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]benzamide Formula: C20H18N6O MolecularWeight: 358.39652

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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)N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O/c21-11-4-12-26-14-17(19(25-26)15-5-2-1-3-6-15)13-23-24-20(27)16-7-9-18(22)10-8-16/h1-3,5-10,13-14H,4,12,22H2,(H,24,27)/b23-13-