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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)NCC(C)(C)C)N(C)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C(=NN1)NCC(C)(C)C)N(C)CC2=CC=C(C=C2)C#N

InChI

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