N-[(E)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2,2-diphenoxy-ethanamide

Systemtic Name: N-[(E)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2,2-diphenoxy-ethanamide Openeye Name: 2,2-diphenoxy-N-[(E)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: N-[(E)-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2,2-diphenoxyacetamide IUPAC Name: N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,2-diphenoxyacetamide Traditional Name: 2,2-diphenoxy-N-[(E)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]acetamide Formula: C31H26N4O3 MolecularWeight: 502.56314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C(OC3=CC=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C(OC3=CC=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26N4O3/c1-23-17-19-24(20-18-23)29-25(22-35(34-29)26-11-5-2-6-12-26)21-32-33-30(36)31(37-27-13-7-3-8-14-27)38-28-15-9-4-10-16-28/h2-22,31H,1H3,(H,33,36)/b32-21+