[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-cyclohexyl-1,2,3-triazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-cyclohexyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-cyclohexyltriazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(1-cyclohexyl-4-triazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-cyclohexyltriazol-4-yl)methanone Traditional Name: (1-cyclohexyltriazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(N=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)N2C=C(N=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H27N5O3/c27-21(18-14-26(23-22-18)17-4-2-1-3-5-17)25-10-8-24(9-11-25)13-16-6-7-19-20(12-16)29-15-28-19/h6-7,12,14,17H,1-5,8-11,13,15H2