N-[[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-benzamide

Systemtic Name: N-[[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-benzamide CAS Name: N-[[3-(1-cyclopentyl-5-benzotriazolyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzamide Traditional Name: N-[[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-benzamide Formula: C22H22N6O2 MolecularWeight: 402.44908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NC(=NO2)C3=CC4=C(C=C3)N(N=N4)C5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NC(=NO2)C3=CC4=C(C=C3)N(N=N4)C5CCCC5

InChI

InChI=1S/C22H22N6O2/c1-14-6-8-15(9-7-14)22(29)23-13-20-24-21(26-30-20)16-10-11-19-18(12-16)25-27-28(19)17-4-2-3-5-17/h6-12,17H,2-5,13H2,1H3,(H,23,29)