N-[2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(3-fluorobenzoyl)piperazino]ethyl]-piperonylamide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)F

InChI

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