4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromanyl-2-fluoranyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromanyl-2-fluoranyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromo-2-fluoro-phenyl)piperazine-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromo-2-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-piperonyl-piperazine-1-carboxamide Formula: C19H19BrFN3O3 MolecularWeight: 436.274863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C19H19BrFN3O3/c20-14-2-3-16(15(21)10-14)22-19(25)24-7-5-23(6-8-24)11-13-1-4-17-18(9-13)27-12-26-17/h1-4,9-10H,5-8,11-12H2,(H,22,25)