6-chloranyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(isobutyrylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C16H21ClN2O4 MolecularWeight: 340.80194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C16H21ClN2O4/c1-10(2)15(20)18-4-5-19-16(21)11-8-12(17)14-13(9-11)22-6-3-7-23-14/h8-10H,3-7H2,1-2H3,(H,18,20)(H,19,21)