[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-(5-methyl-1H-pyrazol-4-yl)methanone CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-(5-methyl-1H-pyrazol-4-yl)methanone IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone Traditional Name: (5-methyl-1H-pyrazol-4-yl)-[3-(4-piperonylpiperazino)piperidino]methanone Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=NN1)C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H29N5O3/c1-16-19(12-23-24-16)22(28)27-6-2-3-18(14-27)26-9-7-25(8-10-26)13-17-4-5-20-21(11-17)30-15-29-20/h4-5,11-12,18H,2-3,6-10,13-15H2,1H3,(H,23,24)