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

Systemtic Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 3-methyl-1-[5-(p-anisylamino)-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)CC(C)C

InChI

InChI=1S/C22H26N4O2/c1-15(2)13-20(27)26-22(23-14-17-7-11-19(28-4)12-8-17)24-21(25-26)18-9-5-16(3)6-10-18/h5-12,15H,13-14H2,1-4H3,(H,23,24,25)