N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxidanylidene-butanamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxidanylidene-butanamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxo-butanamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxobutanamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxobutanamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-methyl-butyramide Formula: C21H21ClFNO4 MolecularWeight: 405.847143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H21ClFNO4/c1-24(13-15-16(22)4-2-5-17(15)23)21(26)9-7-18(25)14-6-8-19-20(12-14)28-11-3-10-27-19/h2,4-6,8,12H,3,7,9-11,13H2,1H3