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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1NC2=CC=C(C=C2)C#N)NCC(C)(C)C)C

Isomeric SMILES

CC1=NN(C(=C1NC2=CC=C(C=C2)C#N)NCC(C)(C)C)C

InChI

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