1-adamantylmethyl 4-(3-morpholin-4-yl-4-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: 1-adamantylmethyl 4-(3-morpholin-4-yl-4-nitro-phenyl)piperazine-1-carboxylate Openeye Name: 1-adamantylmethyl 4-(3-morpholino-4-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(3-morpholino-4-nitro-phenyl)piperazine-1-carboxylic acid 1-adamantylmethyl ester Formula: C26H36N4O5 MolecularWeight: 484.58784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)OCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)OCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H36N4O5/c31-25(35-18-26-15-19-11-20(16-26)13-21(12-19)17-26)29-5-3-27(4-6-29)22-1-2-23(30(32)33)24(14-22)28-7-9-34-10-8-28/h1-2,14,19-21H,3-13,15-18H2