N-[(2S,3S)-3-oxidanyl-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[(2S,3S)-3-oxidanyl-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1S,2S)-3-(4-benzylpiperazin-1-yl)-2-hydroxy-1-methyl-3-oxo-propyl]cyclohexanecarboxamide CAS Name: N-[(2S,3S)-3-hydroxy-4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(2S,3S)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-4-oxobutan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1S,2S)-3-(4-benzylpiperazino)-2-hydroxy-3-keto-1-methyl-propyl]cyclohexanecarboxamide Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCN(CC1)CC2=CC=CC=C2)O)NC(=O)C3CCCCC3

Isomeric SMILES

C[C@@H]([C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)O)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H33N3O3/c1-17(23-21(27)19-10-6-3-7-11-19)20(26)22(28)25-14-12-24(13-15-25)16-18-8-4-2-5-9-18/h2,4-5,8-9,17,19-20,26H,3,6-7,10-16H2,1H3,(H,23,27)/t17-,20-/m0/s1