N-(3-chloranyl-2-methyl-phenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-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)NC3=C(C(=CC=C3)Cl)C)OCCCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)NC3=C(C(=CC=C3)Cl)C)OCCCO2

InChI

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