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

Systemtic Name: N-[(5-phenyl-1H-pyrazol-4-yl)methyl]heptan-1-amine Openeye Name: N-[(5-phenyl-1H-pyrazol-4-yl)methyl]heptan-1-amine CAS Name: N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-heptanamine IUPAC Name: N-[(5-phenyl-1H-pyrazol-4-yl)methyl]heptan-1-amine Traditional Name: heptyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amine Formula: C17H25N3 MolecularWeight: 271.4005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3/c1-2-3-4-5-9-12-18-13-16-14-19-20-17(16)15-10-7-6-8-11-15/h6-8,10-11,14,18H,2-5,9,12-13H2,1H3,(H,19,20)