6-chloranyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(4-isopropoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(4-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(4-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(4-isopropoxybenzyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H22ClNO4/c1-13(2)26-16-6-4-14(5-7-16)12-22-20(23)15-10-17(21)19-18(11-15)24-8-3-9-25-19/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,22,23)