3-chloranyl-5-[[3-[2-(1,3-dihydroisoindol-2-yl)-2-oxidanylidene-ethyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[[3-[2-(1,3-dihydroisoindol-2-yl)-2-oxidanylidene-ethyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[[3-(2-isoindolin-2-yl-2-oxo-ethyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzonitrile CAS Name: 3-chloro-5-[[3-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzonitrile IUPAC Name: 3-chloro-5-[[3-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzonitrile Traditional Name: 3-chloro-5-[[3-(2-isoindolin-2-yl-2-keto-ethyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzonitrile Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CC(=O)N2CC3=CC=CC=C3C2)OC4=CC(=CC(=C4)C#N)Cl

Isomeric SMILES

CC1=C(C(=NN1)CC(=O)N2CC3=CC=CC=C3C2)OC4=CC(=CC(=C4)C#N)Cl

InChI

InChI=1S/C21H17ClN4O2/c1-13-21(28-18-7-14(10-23)6-17(22)8-18)19(25-24-13)9-20(27)26-11-15-4-2-3-5-16(15)12-26/h2-8H,9,11-12H2,1H3,(H,24,25)