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

Systemtic Name: 4-[[[5-(2,2-dimethylpropylamino)-1,3-dimethyl-pyrazol-4-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[5-(2,2-dimethylpropylamino)-1,3-dimethyl-pyrazol-4-yl]amino]methyl]benzonitrile CAS Name: 4-[[[5-(2,2-dimethylpropylamino)-1,3-dimethyl-4-pyrazolyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[5-(2,2-dimethylpropylamino)-1,3-dimethylpyrazol-4-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[1,3-dimethyl-5-(neopentylamino)pyrazol-4-yl]amino]methyl]benzonitrile Formula: C18H25N5 MolecularWeight: 311.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1NCC2=CC=C(C=C2)C#N)NCC(C)(C)C)C

Isomeric SMILES

CC1=NN(C(=C1NCC2=CC=C(C=C2)C#N)NCC(C)(C)C)C

InChI

InChI=1S/C18H25N5/c1-13-16(17(23(5)22-13)21-12-18(2,3)4)20-11-15-8-6-14(10-19)7-9-15/h6-9,20-21H,11-12H2,1-5H3