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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-cycloheptyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(1-cycloheptyl-4-triazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone Traditional Name: (1-cycloheptyltriazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C=C(N=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCC(CC1)N2C=C(N=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H29N5O3/c28-22(19-15-27(24-23-19)18-5-3-1-2-4-6-18)26-11-9-25(10-12-26)14-17-7-8-20-21(13-17)30-16-29-20/h7-8,13,15,18H,1-6,9-12,14,16H2