1-[4-[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[4-(3,5-dimethyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[4-(3,5-dimethylpiperidino)-3-nitro-benzoyl]piperazino]-2-methyl-propan-1-one Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H32N4O4/c1-15(2)21(27)23-7-9-24(10-8-23)22(28)18-5-6-19(20(12-18)26(29)30)25-13-16(3)11-17(4)14-25/h5-6,12,15-17H,7-11,13-14H2,1-4H3