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

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[3-(pyridin-3-ylcarbonylamino)phenyl]isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[3-(pyridine-3-carbonylamino)phenyl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-[3-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-(3-nicotinamidophenyl)isoindoline-5-carboxamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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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)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H22N4O4/c1-2-3-12-29-24(32)20-10-9-16(13-21(20)25(29)33)22(30)27-18-7-4-8-19(14-18)28-23(31)17-6-5-11-26-15-17/h4-11,13-15H,2-3,12H2,1H3,(H,27,30)(H,28,31)