3-[1-[2-(1,3-benzodioxol-5-yl)ethanoyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[2-(1,3-benzodioxol-5-yl)ethanoyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-piperidyl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-3-piperidinyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-piperidyl]-1-(4-methylpiperazino)propan-1-one Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H31N3O4/c1-23-9-11-24(12-10-23)21(26)7-5-17-3-2-8-25(15-17)22(27)14-18-4-6-19-20(13-18)29-16-28-19/h4,6,13,17H,2-3,5,7-12,14-16H2,1H3