1-[5-(4-ethylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[5-(4-ethylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[5-(4-ethylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[5-(4-ethylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[5-(4-ethylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[5-(4-ethylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C22H33N3O2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2C(=O)CC(C)CC(C)(C)C)OC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2C(=O)CC(C)CC(C)(C)C)OC(C)C

InChI

InChI=1S/C22H33N3O2/c1-8-17-9-11-18(12-10-17)20-23-21(27-15(2)3)24-25(20)19(26)13-16(4)14-22(5,6)7/h9-12,15-16H,8,13-14H2,1-7H3