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

Systemtic Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)OCC(C)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)OCC(C)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H24ClN3O2/c1-4-19(16-9-6-5-7-10-16)21(27)26-20(17-11-8-12-18(23)13-17)24-22(25-26)28-14-15(2)3/h5-13,15,19H,4,14H2,1-3H3