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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CNC1=C(C(=NN1C)C)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(C)(C)CNC1=C(C(=NN1C)C)NCC2=CC=C(C=C2)C#N

InChI

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