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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCN3C4=CC=CC=C4OC3=O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCN3C4=CC=CC=C4OC3=O)Cl)OC1

InChI

InChI=1S/C20H19ClN2O5/c21-14-10-13(11-17-19(14)27-9-3-8-26-17)12-22-18(24)6-7-23-15-4-1-2-5-16(15)28-20(23)25/h1-2,4-5,10-11H,3,6-9,12H2,(H,22,24)