N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[2-(4-piperonyloylpiperazino)ethyl]benzamide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22FN3O4/c22-17-4-1-15(2-5-17)20(26)23-7-8-24-9-11-25(12-10-24)21(27)16-3-6-18-19(13-16)29-14-28-18/h1-6,13H,7-12,14H2,(H,23,26)