[4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-nitro-2-piperidin-1-yl-phenyl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-nitro-2-piperidin-1-yl-phenyl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-[5-nitro-2-(1-piperidyl)phenyl]methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-[5-nitro-2-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-nitro-2-piperidin-1-ylphenyl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(5-nitro-2-piperidino-phenyl)methanone Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H36N4O4/c32-25(23-15-22(31(34)35)4-5-24(23)28-6-2-1-3-7-28)29-8-10-30(11-9-29)26(33)27-16-19-12-20(17-27)14-21(13-19)18-27/h4-5,15,19-21H,1-3,6-14,16-18H2