2-(5-methyl-2-propan-2-yl-phenoxy)-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]acetamide Formula: C31H34N4O3 MolecularWeight: 510.62666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N4O3/c1-5-17-37-27-14-12-24(13-15-27)31-25(20-35(34-31)26-9-7-6-8-10-26)19-32-33-30(36)21-38-29-18-23(4)11-16-28(29)22(2)3/h6-16,18-20,22H,5,17,21H2,1-4H3,(H,33,36)/b32-19+