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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(p-anisylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2/c1-3-4-18(26)25-20(22-13-14-5-11-17(27-2)12-6-14)23-19(24-25)15-7-9-16(21)10-8-15/h5-12H,3-4,13H2,1-2H3,(H,22,23,24)