5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N1,N3-bis[3-(2,4-dimethylphenoxy)propyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N1,N3-bis[3-(2,4-dimethylphenoxy)propyl]benzene-1,3-dicarboxamide Openeye Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N1,N3-bis[3-(2,4-dimethylphenoxy)propyl]benzene-1,3-dicarboxamide CAS Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N1,N3-bis[3-(2,4-dimethylphenoxy)propyl]benzene-1,3-dicarboxamide IUPAC Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-1-N,3-N-bis[3-(2,4-dimethylphenoxy)propyl]benzene-1,3-dicarboxamide Traditional Name: 5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N,N'-bis[3-(2,4-dimethylphenoxy)propyl]isophthalamide Formula: C38H46N6O4 MolecularWeight: 650.80964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=CC(=C2)C3=NN4C(=N3)C=C(N4)C(C)(C)C)C(=O)NCCCOC5=C(C=C(C=C5)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=CC(=C2)C3=NN4C(=N3)C=C(N4)C(C)(C)C)C(=O)NCCCOC5=C(C=C(C=C5)C)C)C

InChI

InChI=1S/C38H46N6O4/c1-24-10-12-31(26(3)18-24)47-16-8-14-39-36(45)29-20-28(35-41-34-23-33(38(5,6)7)42-44(34)43-35)21-30(22-29)37(46)40-15-9-17-48-32-13-11-25(2)19-27(32)4/h10-13,18-23,42H,8-9,14-17H2,1-7H3,(H,39,45)(H,40,46)