2-phenoxy-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: 2-phenoxy-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: 2-phenoxy-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-phenoxy-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-phenoxy-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide Traditional Name: 2-phenoxy-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]acetamide Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-2-17-33-25-15-13-21(14-16-25)27-22(19-31(30-27)23-9-5-3-6-10-23)18-28-29-26(32)20-34-24-11-7-4-8-12-24/h3-16,18-19H,2,17,20H2,1H3,(H,29,32)/b28-18+