5-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile

Systemtic Name: 5-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile CAS Name: 5-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[[3-(aminomethyl)-5-methyl-1H-pyrazol-4-yl]oxy]isophthalonitrile Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CN)OC2=CC(=CC(=C2)C#N)C#N

Isomeric SMILES

CC1=C(C(=NN1)CN)OC2=CC(=CC(=C2)C#N)C#N

InChI

InChI=1S/C13H11N5O/c1-8-13(12(7-16)18-17-8)19-11-3-9(5-14)2-10(4-11)6-15/h2-4H,7,16H2,1H3,(H,17,18)