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

Systemtic Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O2/c1-5-9-23-16-19-15(12-7-6-8-13(18)10-12)21(20-16)14(22)11-17(2,3)4/h6-8,10H,5,9,11H2,1-4H3