2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-acetamide CAS Name: 2-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethylacetamide IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethylacetamide Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)-2-keto-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-acetamide Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C28H35N3O6/c1-3-29(4-2)27(33)20-37-23-17-30(13-12-21-8-6-5-7-9-21)26(32)19-31(18-23)28(34)22-10-11-24-25(16-22)36-15-14-35-24/h5-11,16,23H,3-4,12-15,17-20H2,1-2H3