1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c1-15(2)14-27-21-23-20(17-9-6-10-18(22)13-17)25(24-21)19(26)12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3