N-octan-2-yl-3-(pyrazol-1-ylmethyl)aniline

Systemtic Name: N-octan-2-yl-3-(pyrazol-1-ylmethyl)aniline Openeye Name: N-(1-methylheptyl)-3-(pyrazol-1-ylmethyl)aniline CAS Name: N-octan-2-yl-3-(1-pyrazolylmethyl)aniline IUPAC Name: N-octan-2-yl-3-(pyrazol-1-ylmethyl)aniline Traditional Name: 1-methylheptyl-[3-(pyrazol-1-ylmethyl)phenyl]amine Formula: C18H27N3 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=CC=CC(=C1)CN2C=CC=N2

Isomeric SMILES

CCCCCCC(C)NC1=CC=CC(=C1)CN2C=CC=N2

InChI

InChI=1S/C18H27N3/c1-3-4-5-6-9-16(2)20-18-11-7-10-17(14-18)15-21-13-8-12-19-21/h7-8,10-14,16,20H,3-6,9,15H2,1-2H3