N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4F

InChI

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