2-butyl-N-[3-(methylcarbamoyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[3-(methylcarbamoyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[3-(methylcarbamoyl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[3-(methylcarbamoyl)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[3-(methylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[3-(methylcarbamoyl)phenyl]isoindoline-5-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC

InChI

InChI=1S/C21H21N3O4/c1-3-4-10-24-20(27)16-9-8-14(12-17(16)21(24)28)19(26)23-15-7-5-6-13(11-15)18(25)22-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,25)(H,23,26)