N-[(2S,3S)-1-cyclohexyl-6-(methylamino)-3-oxidanyl-6-oxidanylidene-hexan-2-yl]quinoline-3-carboxamide

Systemtic Name: N-[(2S,3S)-1-cyclohexyl-6-(methylamino)-3-oxidanyl-6-oxidanylidene-hexan-2-yl]quinoline-3-carboxamide Openeye Name: N-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-5-(methylamino)-5-oxo-pentyl]quinoline-3-carboxamide CAS Name: N-[(2S,3S)-1-cyclohexyl-3-hydroxy-6-(methylamino)-6-oxohexan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[(2S,3S)-1-cyclohexyl-3-hydroxy-6-(methylamino)-6-oxohexan-2-yl]quinoline-3-carboxamide Traditional Name: N-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-5-keto-5-(methylamino)pentyl]quinoline-3-carboxamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC(C(CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3N=C2)O

Isomeric SMILES

CNC(=O)CC[C@@H]([C@H](CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3N=C2)O

InChI

InChI=1S/C23H31N3O3/c1-24-22(28)12-11-21(27)20(13-16-7-3-2-4-8-16)26-23(29)18-14-17-9-5-6-10-19(17)25-15-18/h5-6,9-10,14-16,20-21,27H,2-4,7-8,11-13H2,1H3,(H,24,28)(H,26,29)/t20-,21-/m0/s1