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

Systemtic Name: 6-chloranyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(p-tolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(4-methylbenzyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H18ClNO3/c1-12-3-5-13(6-4-12)11-20-18(21)14-9-15(19)17-16(10-14)22-7-2-8-23-17/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,21)