2-butyl-1,3-bis(oxidanylidene)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]isoindoline-5-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H21N5O3/c1-2-3-10-26-21(29)17-7-6-16(12-18(17)22(26)30)20(28)24-14-15-5-8-19(23-13-15)27-11-4-9-25-27/h4-9,11-13H,2-3,10,14H2,1H3,(H,24,28)