2-butyl-1,3-bis(oxidanylidene)-N-(2-pyrazol-1-ylpyridin-3-yl)isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-(2-pyrazol-1-ylpyridin-3-yl)isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-(2-pyrazol-1-yl-3-pyridyl)isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[2-(1-pyrazolyl)-3-pyridinyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-(2-pyrazol-1-ylpyridin-3-yl)isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-(2-pyrazol-1-yl-3-pyridyl)isoindoline-5-carboxamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H19N5O3/c1-2-3-11-25-20(28)15-8-7-14(13-16(15)21(25)29)19(27)24-17-6-4-9-22-18(17)26-12-5-10-23-26/h4-10,12-13H,2-3,11H2,1H3,(H,24,27)