N-[(1-phenylpyrazol-4-yl)methyl]cyclooctanamine

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]cyclooctanamine Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]cyclooctanamine CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]cyclooctanamine IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]cyclooctanamine Traditional Name: cyclooctyl-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C18H25N3 MolecularWeight: 283.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3/c1-2-5-9-17(10-6-3-1)19-13-16-14-20-21(15-16)18-11-7-4-8-12-18/h4,7-8,11-12,14-15,17,19H,1-3,5-6,9-10,13H2