1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]azepane

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]azepane Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]azepane CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]azepane IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]azepane Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]azepane Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O2/c1-13-11-14(2)20(18-13)17-12-15(7-8-16(17)21(22)23)19-9-5-3-4-6-10-19/h7-8,11-12H,3-6,9-10H2,1-2H3