3-isocyano-5-[[5-methyl-3-[(3-oxidanylidene-1H-isoindol-2-yl)methyl]-1H-pyrazol-4-yl]oxy]benzenecarbonitrile

Systemtic Name: 3-isocyano-5-[[5-methyl-3-[(3-oxidanylidene-1H-isoindol-2-yl)methyl]-1H-pyrazol-4-yl]oxy]benzenecarbonitrile Openeye Name: 3-isocyano-5-[[5-methyl-3-[(1-oxoisoindolin-2-yl)methyl]-1H-pyrazol-4-yl]oxy]benzonitrile CAS Name: 3-isocyano-5-[[5-methyl-3-[(3-oxo-1H-isoindol-2-yl)methyl]-1H-pyrazol-4-yl]oxy]benzonitrile IUPAC Name: 3-isocyano-5-[[5-methyl-3-[(3-oxo-1H-isoindol-2-yl)methyl]-1H-pyrazol-4-yl]oxy]benzonitrile Traditional Name: 3-isocyano-5-[[3-[(1-ketoisoindolin-2-yl)methyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzonitrile Formula: C21H15N5O2 MolecularWeight: 369.3761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CN2CC3=CC=CC=C3C2=O)OC4=CC(=CC(=C4)[N+]#[C-])C#N

Isomeric SMILES

CC1=C(C(=NN1)CN2CC3=CC=CC=C3C2=O)OC4=CC(=CC(=C4)[N+]#[C-])C#N

InChI

InChI=1S/C21H15N5O2/c1-13-20(28-17-8-14(10-22)7-16(9-17)23-2)19(25-24-13)12-26-11-15-5-3-4-6-18(15)21(26)27/h3-9H,11-12H2,1H3,(H,24,25)