2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-ethyl-amino]-N-(4-fluorobenzyl)acetamide Formula: C17H22FN5O3 MolecularWeight: 363.386683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H22FN5O3/c1-4-21(11-22-13(3)17(23(25)26)12(2)20-22)10-16(24)19-9-14-5-7-15(18)8-6-14/h5-8H,4,9-11H2,1-3H3,(H,19,24)