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

Systemtic Name: 3-acetamido-N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)propanamide Openeye Name: 3-acetamido-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)propanamide CAS Name: 3-acetamido-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)propanamide IUPAC Name: 3-acetamido-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)propanamide Traditional Name: 3-acetamido-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(4-methoxyphenyl)propionamide Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1Cl)OCCCO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1Cl)OCCCO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23ClN2O5/c1-13(25)23-17(14-4-6-15(27-2)7-5-14)12-21(26)24-18-11-20-19(10-16(18)22)28-8-3-9-29-20/h4-7,10-11,17H,3,8-9,12H2,1-2H3,(H,23,25)(H,24,26)