2-butyl-1,3-bis(oxidanylidene)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[5-(2-pyridyl)-1H-1,2,4-triazol-3-yl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[5-(2-pyridinyl)-1H-1,2,4-triazol-3-yl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[5-(2-pyridyl)-1H-1,2,4-triazol-3-yl]isoindoline-5-carboxamide Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NNC(=N3)C4=CC=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NNC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C20H18N6O3/c1-2-3-10-26-18(28)13-8-7-12(11-14(13)19(26)29)17(27)23-20-22-16(24-25-20)15-6-4-5-9-21-15/h4-9,11H,2-3,10H2,1H3,(H2,22,23,24,25,27)