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

Systemtic Name: 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]pyridine-3-carboxamide CAS Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]-3-pyridinecarboxamide IUPAC Name: 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]nicotinamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-16(2)12-19(22(28)24-3)14-21(27)20(13-17-8-5-4-6-9-17)26-23(29)18-10-7-11-25-15-18/h4-11,15-16,19-21,27H,12-14H2,1-3H3,(H,24,28)(H,26,29)/t19-,20+,21+/m1/s1