N-[(4-chlorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)NCC3=CC=C(C=C3)Cl)OCCCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)NCC3=CC=C(C=C3)Cl)OCCCO2

InChI

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