N-[(1-phenylpyrazol-4-yl)methyl]heptan-2-amine

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]heptan-2-amine Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]heptan-2-amine CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-2-heptanamine IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]heptan-2-amine Traditional Name: 1-methylhexyl-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C17H25N3 MolecularWeight: 271.4005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NCC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)NCC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H25N3/c1-3-4-6-9-15(2)18-12-16-13-19-20(14-16)17-10-7-5-8-11-17/h5,7-8,10-11,13-15,18H,3-4,6,9,12H2,1-2H3