N-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]pyrazol-4-yl]hex-2-ynamide

Systemtic Name: N-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]pyrazol-4-yl]hex-2-ynamide Openeye Name: N-[1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]pyrazol-4-yl]hex-2-ynamide CAS Name: N-[1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-4-pyrazolyl]-2-hexynamide IUPAC Name: N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]hex-2-ynamide Traditional Name: N-[1-(2-phthalimidoethyl)pyrazol-4-yl]hex-2-ynamide Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)NC1=CN(N=C1)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC#CC(=O)NC1=CN(N=C1)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H18N4O3/c1-2-3-4-9-17(24)21-14-12-20-22(13-14)10-11-23-18(25)15-7-5-6-8-16(15)19(23)26/h5-8,12-13H,2-3,10-11H2,1H3,(H,21,24)