N-[(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide Openeye Name: N-[(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methyleneamino]pyridine-4-carboxamide CAS Name: N-[(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)-4-pyrazolyl]methylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide Traditional Name: N-[(E)-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]methyleneamino]isonicotinamide Formula: C25H20N6O MolecularWeight: 420.4659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=NNC(=O)C4=CC=NC=C4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3/C=N/NC(=O)C4=CC=NC=C4)CCC#N

InChI

InChI=1S/C25H20N6O/c26-13-4-16-31-18-23(17-28-29-25(32)22-11-14-27-15-12-22)24(30-31)21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-12,14-15,17-18H,4,16H2,(H,29,32)/b28-17+