N-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanamine

Systemtic Name: N-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanamine Openeye Name: N-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanamine CAS Name: N-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanamine IUPAC Name: N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclopropanamine Traditional Name: cyclopropyl-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-(4-fluorobenzyl)amine Formula: C16H19FN4O2 MolecularWeight: 318.346063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN(CC2=CC=C(C=C2)F)C3CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN(CC2=CC=C(C=C2)F)C3CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19FN4O2/c1-11-16(21(22)23)12(2)20(18-11)10-19(15-7-8-15)9-13-3-5-14(17)6-4-13/h3-6,15H,7-10H2,1-2H3