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

Systemtic Name: N-[(2S,3S,5R)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-phenyl-octan-2-yl]pyrazine-2-carboxamide Openeye Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]pyrazine-2-carboxamide CAS Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]-2-pyrazinecarboxamide IUPAC Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]pyrazine-2-carboxamide Traditional Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]pyrazinamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-15(2)11-17(21(28)23-3)13-20(27)18(12-16-7-5-4-6-8-16)26-22(29)19-14-24-9-10-25-19/h4-10,14-15,17-18,20,27H,11-13H2,1-3H3,(H,23,28)(H,26,29)/t17-,18+,20+/m1/s1