N-(3-methylbutyl)-1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(3-methylbutyl)-1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide Openeye Name: N-isopentyl-1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxamide CAS Name: N-(3-methylbutyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(3-methylbutyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide Traditional Name: N-isoamyl-1,3-diketo-2-(4-pyridylmethyl)isoindoline-5-carboxamide Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=NC=C3

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=NC=C3

InChI

InChI=1S/C20H21N3O3/c1-13(2)5-10-22-18(24)15-3-4-16-17(11-15)20(26)23(19(16)25)12-14-6-8-21-9-7-14/h3-4,6-9,11,13H,5,10,12H2,1-2H3,(H,22,24)