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

Systemtic Name: 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)-N-[3-(pyrazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Openeye Name: 2-(3-methoxypropyl)-1,3-dioxo-N-[3-(pyrazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-N-[3-(1-pyrazolylmethyl)phenyl]-5-isoindolecarboxamide IUPAC Name: 2-(3-methoxypropyl)-1,3-dioxo-N-[3-(pyrazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(3-methoxypropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C23H22N4O4/c1-31-12-4-11-27-22(29)19-8-7-17(14-20(19)23(27)30)21(28)25-18-6-2-5-16(13-18)15-26-10-3-9-24-26/h2-3,5-10,13-14H,4,11-12,15H2,1H3,(H,25,28)