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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-keto-4H-quinoxalin-2-yl)propionamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCC3=NC4=CC=CC=C4NC3=O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCC3=NC4=CC=CC=C4NC3=O)Cl)OC1

InChI

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