1-(1,3-benzodioxol-5-yl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-keto-pyrrolidine-3-carboxamide Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5)Cl)OC1

InChI

InChI=1S/C22H21ClN2O6/c23-16-6-13(7-19-21(16)29-5-1-4-28-19)10-24-22(27)14-8-20(26)25(11-14)15-2-3-17-18(9-15)31-12-30-17/h2-3,6-7,9,14H,1,4-5,8,10-12H2,(H,24,27)