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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(isobutyrylamino)benzyl]-4-keto-butyramide Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C24H28N2O5/c1-16(2)24(29)26-19-7-4-17(5-8-19)15-25-23(28)11-9-20(27)18-6-10-21-22(14-18)31-13-3-12-30-21/h4-8,10,14,16H,3,9,11-13,15H2,1-2H3,(H,25,28)(H,26,29)