N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]hexan-1-amine

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]hexan-1-amine Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]hexan-1-amine CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-hexanamine IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-hexyl-amine Formula: C18H27N3 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCNCC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

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