1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-4-methyl-3H-1,4-benzodiazepine-2,5-quinone Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C2=CC=CC=C2C1=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1CC(=O)N(C2=CC=CC=C2C1=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O3/c1-19-12-17(23)21(15-9-5-4-8-14(15)18(19)24)13-16(22)20-10-6-2-3-7-11-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3