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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-(benzylamino)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-(benzylamino)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-(benzylamino)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C18H17ClN4O MolecularWeight: 340.80678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)NCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C18H17ClN4O/c1-2-16(24)23-18(20-12-13-6-4-3-5-7-13)21-17(22-23)14-8-10-15(19)11-9-14/h3-11H,2,12H2,1H3,(H,20,21,22)