N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C18H19F2N5O3 MolecularWeight: 391.371966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OC(O2)(F)F)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OC(O2)(F)F)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H19F2N5O3/c1-12(24-7-9-25(10-8-24)17-21-5-2-6-22-17)16(26)23-13-3-4-14-15(11-13)28-18(19,20)27-14/h2-6,11-12H,7-10H2,1H3,(H,23,26)