5-bromanyl-N-[(2S,3S,5R)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-phenyl-octan-2-yl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(2S,3S,5R)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-phenyl-octan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]-5-bromo-pyridine-3-carboxamide CAS Name: 5-bromo-N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]-5-bromo-nicotinamide Formula: C23H30BrN3O3 MolecularWeight: 476.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CN=C2)Br)O)C(=O)NC

Isomeric SMILES

CC(C)C[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CN=C2)Br)O)C(=O)NC

InChI

InChI=1S/C23H30BrN3O3/c1-15(2)9-17(22(29)25-3)12-21(28)20(10-16-7-5-4-6-8-16)27-23(30)18-11-19(24)14-26-13-18/h4-8,11,13-15,17,20-21,28H,9-10,12H2,1-3H3,(H,25,29)(H,27,30)/t17-,20+,21+/m1/s1