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

Systemtic Name: 4-[[[3-(2,2-dimethylbutylamino)-5-methyl-1H-pyrazol-4-yl]-methyl-amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[3-(2,2-dimethylbutylamino)-5-methyl-1H-pyrazol-4-yl]-methyl-amino]methyl]benzonitrile CAS Name: 4-[[[3-(2,2-dimethylbutylamino)-5-methyl-1H-pyrazol-4-yl]-methylamino]methyl]benzonitrile IUPAC Name: 4-[[[3-(2,2-dimethylbutylamino)-5-methyl-1H-pyrazol-4-yl]-methylamino]methyl]benzonitrile Traditional Name: 4-[[[3-(2,2-dimethylbutylamino)-5-methyl-1H-pyrazol-4-yl]-methyl-amino]methyl]benzonitrile Formula: C19H27N5 MolecularWeight: 325.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CNC1=NNC(=C1N(C)CC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCC(C)(C)CNC1=NNC(=C1N(C)CC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C19H27N5/c1-6-19(3,4)13-21-18-17(14(2)22-23-18)24(5)12-16-9-7-15(11-20)8-10-16/h7-10H,6,12-13H2,1-5H3,(H2,21,22,23)