1-(4-methoxyphenyl)-4-(2-methyl-5-oxidanylidene-1,4-diazepan-1-yl)butane-1,4-dione

Systemtic Name: 1-(4-methoxyphenyl)-4-(2-methyl-5-oxidanylidene-1,4-diazepan-1-yl)butane-1,4-dione Openeye Name: 1-(4-methoxyphenyl)-4-(2-methyl-5-oxo-1,4-diazepan-1-yl)butane-1,4-dione CAS Name: 1-(4-methoxyphenyl)-4-(2-methyl-5-oxo-1,4-diazepan-1-yl)butane-1,4-dione IUPAC Name: 1-(4-methoxyphenyl)-4-(2-methyl-5-oxo-1,4-diazepan-1-yl)butane-1,4-dione Traditional Name: 1-(5-keto-2-methyl-1,4-diazepan-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)CCN1C(=O)CCC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1CNC(=O)CCN1C(=O)CCC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22N2O4/c1-12-11-18-16(21)9-10-19(12)17(22)8-7-15(20)13-3-5-14(23-2)6-4-13/h3-6,12H,7-11H2,1-2H3,(H,18,21)