6-chloranyl-N-(2-ethyl-6-methyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(2-ethyl-6-methyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(2-ethyl-6-methyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-(2-ethyl-6-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(2-ethyl-6-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(2-ethyl-6-methyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C19H20ClNO3 MolecularWeight: 345.82

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)C

InChI

InChI=1S/C19H20ClNO3/c1-3-13-7-4-6-12(2)17(13)21-19(22)14-10-15(20)18-16(11-14)23-8-5-9-24-18/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,21,22)