2-butyl-N-[[2-(dimethylamino)pyridin-4-yl]methyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[[2-(dimethylamino)pyridin-4-yl]methyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[[2-(dimethylamino)-4-pyridyl]methyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[[2-(dimethylamino)pyridin-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[[2-(dimethylamino)-4-pyridyl]methyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC(=NC=C3)N(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC(=NC=C3)N(C)C

InChI

InChI=1S/C21H24N4O3/c1-4-5-10-25-20(27)16-7-6-15(12-17(16)21(25)28)19(26)23-13-14-8-9-22-18(11-14)24(2)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,26)