N-(1,3-benzodioxol-5-yl)-4-[(5-chloranyl-1-benzofuran-2-yl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloranyl-1-benzofuran-2-yl)methyl]piperazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chlorobenzofuran-2-yl)methyl]piperazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloro-2-benzofuranyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloro-1-benzofuran-2-yl)methyl]piperazine-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chlorobenzofuran-2-yl)methyl]piperazine-1-carboxamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)Cl)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)Cl)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20ClN3O4/c22-15-1-3-18-14(9-15)10-17(29-18)12-24-5-7-25(8-6-24)21(26)23-16-2-4-19-20(11-16)28-13-27-19/h1-4,9-11H,5-8,12-13H2,(H,23,26)