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

Systemtic Name: azepan-1-yl-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]methanone Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCCCC3)C)[N+](=O)[O-]

InChI

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