N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-1H-pyrrole-2-carboxamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-1H-pyrrole-2-carboxamide Formula: C18H16N6O MolecularWeight: 332.35924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=CN3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=O)C3=CC=CN3)CCC#N

InChI

InChI=1S/C18H16N6O/c19-9-5-11-24-13-15(17(23-24)14-6-2-1-3-7-14)12-21-22-18(25)16-8-4-10-20-16/h1-4,6-8,10,12-13,20H,5,11H2,(H,22,25)/b21-12-