7-chloranyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]-piperonylamide Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C4=NC=CC=N4

InChI

InChI=1S/C19H22ClN5O3/c20-15-11-14(12-16-17(15)28-13-27-16)18(26)21-5-2-6-24-7-9-25(10-8-24)19-22-3-1-4-23-19/h1,3-4,11-12H,2,5-10,13H2,(H,21,26)