2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[3-(6,7-dimethyl-8-oxidanylidene-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)propyl]phenyl]butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[3-(6,7-dimethyl-8-oxidanylidene-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)propyl]phenyl]butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[3-(6,7-dimethyl-8-oxo-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)propyl]phenyl]butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[3-(6,7-dimethyl-8-oxo-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)propyl]phenyl]butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[3-(6,7-dimethyl-8-oxo-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)propyl]phenyl]butanamide Traditional Name: 2-(2,4-ditert-amylphenoxy)-N-[4-[3-(8-keto-6,7-dimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)propyl]phenyl]butyramide Formula: C36H50N6O3 MolecularWeight: 614.8206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)CCCC2=NNC3=NC(=O)C(C(=NN23)C)C)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)CCCC2=NNC3=NC(=O)C(C(=NN23)C)C)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C36H50N6O3/c1-10-29(45-30-21-18-26(35(6,7)11-2)22-28(30)36(8,9)12-3)33(44)37-27-19-16-25(17-20-27)14-13-15-31-39-40-34-38-32(43)23(4)24(5)41-42(31)34/h16-23,29H,10-15H2,1-9H3,(H,37,44)(H,38,40,43)