6-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methyl-heptan-2-ol

Systemtic Name: 6-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methyl-heptan-2-ol Openeye Name: 6-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methyl-heptan-2-ol CAS Name: 6-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methyl-2-heptanol IUPAC Name: 6-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylheptan-2-ol Traditional Name: 6-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methyl-heptan-2-ol Formula: C20H31N3O MolecularWeight: 329.47964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CNC(C)CCCC(C)(C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CNC(C)CCCC(C)(C)O)C

InChI

InChI=1S/C20H31N3O/c1-14-8-9-17(11-15(14)2)19-18(13-22-23-19)12-21-16(3)7-6-10-20(4,5)24/h8-9,11,13,16,21,24H,6-7,10,12H2,1-5H3,(H,22,23)