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

Systemtic Name: N-[(4-acetamidophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide Openeye Name: N-[(4-acetamidophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: N-[(4-acetamidophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: N-(4-acetamidobenzyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-15(25)24-18-6-3-16(4-7-18)14-23-22(27)10-8-19(26)17-5-9-20-21(13-17)29-12-2-11-28-20/h3-7,9,13H,2,8,10-12,14H2,1H3,(H,23,27)(H,24,25)