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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H21ClN2O4/c22-17-10-14(11-18-20(17)28-9-3-8-27-18)13-23-21(26)15-4-1-5-16(12-15)24-7-2-6-19(24)25/h1,4-5,10-12H,2-3,6-9,13H2,(H,23,26)