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

Systemtic Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C(CC)C3=CC=CC=C3

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C(CC)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c1-3-13-27-21-23-19(16-11-8-12-17(22)14-16)25(24-21)20(26)18(4-2)15-9-6-5-7-10-15/h5-12,14,18H,3-4,13H2,1-2H3