N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]heptan-1-amine

Systemtic Name: N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]heptan-1-amine Openeye Name: N-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]heptan-1-amine CAS Name: N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-heptanamine IUPAC Name: N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]heptan-1-amine Traditional Name: heptyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]amine Formula: C18H27N3 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=C(NN=C1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCNCC1=C(NN=C1)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H27N3/c1-3-4-5-6-7-12-19-13-17-14-20-21-18(17)16-10-8-15(2)9-11-16/h8-11,14,19H,3-7,12-13H2,1-2H3,(H,20,21)