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

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]octan-2-amine Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]octan-2-amine CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-2-octanamine IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]octan-2-amine Traditional Name: 1-methylheptyl-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C18H27N3 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3/c1-3-4-5-7-10-16(2)19-13-17-14-20-21(15-17)18-11-8-6-9-12-18/h6,8-9,11-12,14-16,19H,3-5,7,10,13H2,1-2H3