4-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonyl]-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one

Systemtic Name: 4-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonyl]-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one Openeye Name: 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one CAS Name: 4-[(1-cyclohexyl-4-triazolyl)-oxomethyl]-1-[(3,4-dimethylphenyl)methyl]-2-piperazinone IUPAC Name: 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one Traditional Name: 4-(1-cyclohexyltriazole-4-carbonyl)-1-(3,4-dimethylbenzyl)piperazin-2-one Formula: C22H29N5O2 MolecularWeight: 395.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCN(CC2=O)C(=O)C3=CN(N=N3)C4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCN(CC2=O)C(=O)C3=CN(N=N3)C4CCCCC4)C

InChI

InChI=1S/C22H29N5O2/c1-16-8-9-18(12-17(16)2)13-25-10-11-26(15-21(25)28)22(29)20-14-27(24-23-20)19-6-4-3-5-7-19/h8-9,12,14,19H,3-7,10-11,13,15H2,1-2H3