(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-keto-2-piperidino-ethyl)piperazino]prop-2-en-1-one Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O4/c25-20(7-5-17-4-6-18-19(14-17)28-16-27-18)24-12-10-22(11-13-24)15-21(26)23-8-2-1-3-9-23/h4-7,14H,1-3,8-13,15-16H2/b7-5+