N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-piperidin-1-yl-ethyl]-4-nitro-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-piperidin-1-yl-ethyl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-(1-piperidyl)ethyl]-4-nitro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-(1-piperidinyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-piperidin-1-ylethyl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-piperidino-ethyl]-4-nitro-benzamide Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O4/c28-22(19-4-6-20(7-5-19)27(30)31)25-21(23(29)26-8-2-1-3-9-26)24-13-16-10-17(14-24)12-18(11-16)15-24/h4-7,16-18,21H,1-3,8-15H2,(H,25,28)/t16?,17?,18?,21-,24?/m1/s1