N-[[2-(3-methyl-6-methylidene-2-oxidanylidene-piperidin-3-yl)-1,3-bis(oxidanylidene)isoindol-4-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-[[2-(3-methyl-6-methylidene-2-oxidanylidene-piperidin-3-yl)-1,3-bis(oxidanylidene)isoindol-4-yl]methyl]piperazine-1-carboxamide Openeye Name: N-[[2-(3-methyl-6-methylene-2-oxo-3-piperidyl)-1,3-dioxo-isoindolin-4-yl]methyl]piperazine-1-carboxamide CAS Name: N-[[2-(3-methyl-6-methylene-2-oxo-3-piperidinyl)-1,3-dioxo-4-isoindolyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-[[2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperazine-1-carboxamide Traditional Name: N-[[1,3-diketo-2-(2-keto-3-methyl-6-methylene-3-piperidyl)isoindolin-4-yl]methyl]piperazine-1-carboxamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=C)NC1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)CNC(=O)N4CCNCC4

Isomeric SMILES

CC1(CCC(=C)NC1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)CNC(=O)N4CCNCC4

InChI

InChI=1S/C21H25N5O4/c1-13-6-7-21(2,19(29)24-13)26-17(27)15-5-3-4-14(16(15)18(26)28)12-23-20(30)25-10-8-22-9-11-25/h3-5,22H,1,6-12H2,2H3,(H,23,30)(H,24,29)