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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C22H27N5O MolecularWeight: 377.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-5-6-20(28)27-22(23-15-17-9-13-19(14-10-17)26(3)4)24-21(25-27)18-11-7-16(2)8-12-18/h7-14H,5-6,15H2,1-4H3,(H,23,24,25)