4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O4/c22-16-3-5-17(6-4-16)23-21(27)25-11-9-24(10-12-25)20(26)8-2-15-1-7-18-19(13-15)29-14-28-18/h1-8,13H,9-12,14H2,(H,23,27)/b8-2+