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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-(4-methoxyphenyl)-5-(p-anisylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-4-5-19(26)25-21(22-14-15-6-10-17(27-2)11-7-15)23-20(24-25)16-8-12-18(28-3)13-9-16/h6-13H,4-5,14H2,1-3H3,(H,22,23,24)