N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]cyclohexanecarboxamide

Systemtic Name: N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]cyclohexanecarboxamide Openeye Name: N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]cyclohexanecarboxamide CAS Name: N-[(E)-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylideneamino]cyclohexanecarboxamide IUPAC Name: N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]cyclohexanecarboxamide Traditional Name: N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]cyclohexanecarboxamide Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2/c1-2-17-32-24-15-13-20(14-16-24)25-22(19-30(29-25)23-11-7-4-8-12-23)18-27-28-26(31)21-9-5-3-6-10-21/h4,7-8,11-16,18-19,21H,2-3,5-6,9-10,17H2,1H3,(H,28,31)/b27-18+