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

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[2-(pyrazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[2-(pyrazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[2-(1-pyrazolylmethyl)phenyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-[2-(pyrazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[2-(pyrazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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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=C3CN4C=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C23H22N4O3/c1-2-3-13-27-22(29)18-10-9-16(14-19(18)23(27)30)21(28)25-20-8-5-4-7-17(20)15-26-12-6-11-24-26/h4-12,14H,2-3,13,15H2,1H3,(H,25,28)