1-(3-azanyl-1,2,4-triazol-4-yl)-4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-1-one

Systemtic Name: 1-(3-azanyl-1,2,4-triazol-4-yl)-4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-1-one Openeye Name: 1-(3-amino-1,2,4-triazol-4-yl)-4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butan-1-one CAS Name: 1-(3-amino-1,2,4-triazol-4-yl)-4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-butanone IUPAC Name: 1-(3-amino-1,2,4-triazol-4-yl)-4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-1-one Traditional Name: 1-(3-amino-1,2,4-triazol-4-yl)-4-(2,4-ditert-amylphenoxy)butan-1-one Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N2C=NN=C2N)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N2C=NN=C2N)C(C)(C)CC

InChI

InChI=1S/C22H34N4O2/c1-7-21(3,4)16-11-12-18(17(14-16)22(5,6)8-2)28-13-9-10-19(27)26-15-24-25-20(26)23/h11-12,14-15H,7-10,13H2,1-6H3,(H2,23,25)