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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCN3C(=O)COC4=CC=CC=C43)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCN3C(=O)COC4=CC=CC=C43)Cl)OC1

InChI

InChI=1S/C21H21ClN2O5/c22-15-10-14(11-18-21(15)28-9-3-8-27-18)12-23-19(25)6-7-24-16-4-1-2-5-17(16)29-13-20(24)26/h1-2,4-5,10-11H,3,6-9,12-13H2,(H,23,25)