5-chloranyl-N-[(2S,3R)-1-cyclohexyl-4-(dimethylamino)-3-oxidanyl-4-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide

Systemtic Name: 5-chloranyl-N-[(2S,3R)-1-cyclohexyl-4-(dimethylamino)-3-oxidanyl-4-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide Openeye Name: 5-chloro-N-[(1S,2R)-1-(cyclohexylmethyl)-3-(dimethylamino)-2-hydroxy-3-oxo-propyl]-1H-indole-2-carboxamide CAS Name: 5-chloro-N-[(2S,3R)-1-cyclohexyl-4-(dimethylamino)-3-hydroxy-4-oxobutan-2-yl]-1H-indole-2-carboxamide IUPAC Name: 5-chloro-N-[(2S,3R)-1-cyclohexyl-4-(dimethylamino)-3-hydroxy-4-oxobutan-2-yl]-1H-indole-2-carboxamide Traditional Name: 5-chloro-N-[(1S,2R)-1-(cyclohexylmethyl)-3-(dimethylamino)-2-hydroxy-3-keto-propyl]-1H-indole-2-carboxamide Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C(CC1CCCCC1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O

Isomeric SMILES

CN(C)C(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O

InChI

InChI=1S/C21H28ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h8-9,11-13,17,19,23,26H,3-7,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1