1-[4-(3-oxidanylidenebutanoyl)-1,4-diazepan-1-yl]butane-1,3-dione

Systemtic Name: 1-[4-(3-oxidanylidenebutanoyl)-1,4-diazepan-1-yl]butane-1,3-dione Openeye Name: 1-[4-(3-oxobutanoyl)-1,4-diazepan-1-yl]butane-1,3-dione CAS Name: 1-[4-(1,3-dioxobutyl)-1,4-diazepan-1-yl]butane-1,3-dione IUPAC Name: 1-[4-(3-oxobutanoyl)-1,4-diazepan-1-yl]butane-1,3-dione Traditional Name: 1-(4-acetoacetyl-1,4-diazepan-1-yl)butane-1,3-dione Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1CCCN(CC1)C(=O)CC(=O)C

Isomeric SMILES

CC(=O)CC(=O)N1CCCN(CC1)C(=O)CC(=O)C

InChI

InChI=1S/C13H20N2O4/c1-10(16)8-12(18)14-4-3-5-15(7-6-14)13(19)9-11(2)17/h3-9H2,1-2H3