4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]propanoyl]piperazin-1-yl]-3,5-bis(fluoranyl)benzenecarbonitrile

Systemtic Name: 4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]propanoyl]piperazin-1-yl]-3,5-bis(fluoranyl)benzenecarbonitrile Openeye Name: 4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)-1-piperidyl]propanoyl]piperazin-1-yl]-3,5-difluoro-benzonitrile CAS Name: 4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)-1-piperidinyl]-1-oxopropyl]-1-piperazinyl]-3,5-difluorobenzonitrile IUPAC Name: 4-[4-[3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]propanoyl]piperazin-1-yl]-3,5-difluorobenzonitrile Traditional Name: 3,5-difluoro-4-[4-[3-(3-piperonylpiperidino)propanoyl]piperazino]benzonitrile Formula: C27H30F2N4O3 MolecularWeight: 496.548906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3F)C#N)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3F)C#N)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H30F2N4O3/c28-22-13-21(16-30)14-23(29)27(22)33-10-8-32(9-11-33)26(34)5-7-31-6-1-2-20(17-31)12-19-3-4-24-25(15-19)36-18-35-24/h3-4,13-15,20H,1-2,5-12,17-18H2