4-[[3-(2,2-dimethylpropylamino)-5-methyl-1H-pyrazol-4-yl]-methyl-amino]benzenecarbonitrile

Systemtic Name: 4-[[3-(2,2-dimethylpropylamino)-5-methyl-1H-pyrazol-4-yl]-methyl-amino]benzenecarbonitrile Openeye Name: 4-[[3-(2,2-dimethylpropylamino)-5-methyl-1H-pyrazol-4-yl]-methyl-amino]benzonitrile CAS Name: 4-[[3-(2,2-dimethylpropylamino)-5-methyl-1H-pyrazol-4-yl]-methylamino]benzonitrile IUPAC Name: 4-[[3-(2,2-dimethylpropylamino)-5-methyl-1H-pyrazol-4-yl]-methylamino]benzonitrile Traditional Name: 4-[methyl-[5-methyl-3-(neopentylamino)-1H-pyrazol-4-yl]amino]benzonitrile Formula: C17H23N5 MolecularWeight: 297.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)NCC(C)(C)C)N(C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C(=NN1)NCC(C)(C)C)N(C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H23N5/c1-12-15(16(21-20-12)19-11-17(2,3)4)22(5)14-8-6-13(10-18)7-9-14/h6-9H,11H2,1-5H3,(H2,19,20,21)