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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-fluoro-3-methyl-phenyl)methyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluoro-3-methyl-benzyl)-4-keto-butyramide Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO4/c1-14-11-15(3-5-17(14)22)13-23-21(25)8-6-18(24)16-4-7-19-20(12-16)27-10-2-9-26-19/h3-5,7,11-12H,2,6,8-10,13H2,1H3,(H,23,25)