2-[4-(4-imidazol-1-yl-3-nitro-phenyl)carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-imidazol-1-yl-3-nitro-phenyl)carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(4-imidazol-1-yl-3-nitro-benzoyl)piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(4-imidazol-1-yl-3-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(4-imidazol-1-yl-3-nitro-benzoyl)piperazino]-1-piperidino-ethanone Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O4/c28-20(24-7-2-1-3-8-24)15-23-10-12-25(13-11-23)21(29)17-4-5-18(19(14-17)27(30)31)26-9-6-22-16-26/h4-6,9,14,16H,1-3,7-8,10-13,15H2