1-[4-[[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]carbonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[1-(m-tolyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-(m-tolyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperazino]ethanone Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NC(=N2)C(=O)N3CCN(CC3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NC(=N2)C(=O)N3CCN(CC3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-16-7-6-10-19(15-16)27-21(18-8-4-3-5-9-18)23-20(24-27)22(29)26-13-11-25(12-14-26)17(2)28/h3-10,15H,11-14H2,1-2H3