4-(1,3-benzodioxol-5-ylcarbonyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-N-[(4-fluorophenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-piperonyloyl-piperazine-1-carboxamide Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O4/c21-16-4-1-14(2-5-16)12-22-20(26)24-9-7-23(8-10-24)19(25)15-3-6-17-18(11-15)28-13-27-17/h1-6,11H,7-10,12-13H2,(H,22,26)