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

Systemtic Name: 1,3-bis(oxidanylidene)-2-prop-2-enyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]isoindole-5-carboxamide Openeye Name: 2-allyl-1,3-dioxo-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-prop-2-enyl-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-2-prop-2-enyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]isoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]isoindoline-5-carboxamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H17N5O3/c1-2-10-25-20(28)16-7-6-14(12-17(16)21(25)29)19(27)23-13-15-5-3-8-22-18(15)26-11-4-9-24-26/h2-9,11-12H,1,10,13H2,(H,23,27)