1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)CC(C)(C)C

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C20H29N3O2/c1-8-25-18-21-17(23(22-18)16(24)13-19(2,3)4)14-9-11-15(12-10-14)20(5,6)7/h9-12H,8,13H2,1-7H3