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

Systemtic Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-(p-anisylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-4-5-19(26)25-21(22-14-16-8-12-18(27-3)13-9-16)23-20(24-25)17-10-6-15(2)7-11-17/h6-13H,4-5,14H2,1-3H3,(H,22,23,24)