1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C20H28ClN3O2 MolecularWeight: 377.90822

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C20H28ClN3O2/c1-6-10-26-19-22-18(15-8-7-9-16(21)12-15)24(23-19)17(25)11-14(2)13-20(3,4)5/h7-9,12,14H,6,10-11,13H2,1-5H3