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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-(benzylamino)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-(benzylamino)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-(benzylamino)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C19H19ClN4O MolecularWeight: 354.83336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O/c1-2-6-17(25)24-19(21-13-14-7-4-3-5-8-14)22-18(23-24)15-9-11-16(20)12-10-15/h3-5,7-12H,2,6,13H2,1H3,(H,21,22,23)