[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-[(2S)-2-methyl-1-piperidyl]methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-[(2S)-2-methyl-1-piperidinyl]methanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidino]methanone Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N4O3/c1-13-6-4-5-11-21(13)19(24)17-9-7-16(8-10-17)12-22-15(3)18(23(25)26)14(2)20-22/h7-10,13H,4-6,11-12H2,1-3H3/t13-/m0/s1