6-chloranyl-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(2-ketopyrrolidino)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H21ClN2O4/c22-17-11-15(12-18-20(17)28-10-2-9-27-18)21(26)23-13-14-4-6-16(7-5-14)24-8-1-3-19(24)25/h4-7,11-12H,1-3,8-10,13H2,(H,23,26)