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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[3-(4-methoxyphenyl)-5-(p-anisylamino)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-15(2)13-20(27)26-22(23-14-16-5-9-18(28-3)10-6-16)24-21(25-26)17-7-11-19(29-4)12-8-17/h5-12,15H,13-14H2,1-4H3,(H,23,24,25)