2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazinyl]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazino]-2-phenyl-1-piperidino-ethanone Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)C(C3=CC=CC=C3)C(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)C(C3=CC=CC=C3)C(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-23-16-22-19(27(29)30)20(23)25-14-12-24(13-15-25)18(17-8-4-2-5-9-17)21(28)26-10-6-3-7-11-26/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3