N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2-phenylethanoylamino)propanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2-phenylethanoylamino)propanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[(2-phenylacetyl)amino]propanamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[(2-phenylacetyl)amino]propionamide Formula: C20H21ClN2O4 MolecularWeight: 388.84474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CCNC(=O)CC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CCNC(=O)CC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C20H21ClN2O4/c21-15-12-17-18(27-10-4-9-26-17)13-16(15)23-19(24)7-8-22-20(25)11-14-5-2-1-3-6-14/h1-3,5-6,12-13H,4,7-11H2,(H,22,25)(H,23,24)