5-butoxy-6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-oxidanyl-propyl]pyrazine-2-carboxamide

Systemtic Name: 5-butoxy-6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-oxidanyl-propyl]pyrazine-2-carboxamide Openeye Name: 5-butoxy-6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-propyl]pyrazine-2-carboxamide CAS Name: 5-butoxy-6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-pyrazinecarboxamide IUPAC Name: 5-butoxy-6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]pyrazine-2-carboxamide Traditional Name: 5-butoxy-6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-propyl]pyrazinamide Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(N=C1C2=CC=C(C=C2)Cl)C(=O)NCC(C)(C3CC3)O

Isomeric SMILES

CCCCOC1=NC=C(N=C1C2=CC=C(C=C2)Cl)C(=O)NC[C@@](C)(C3CC3)O

InChI

InChI=1S/C21H26ClN3O3/c1-3-4-11-28-20-18(14-5-9-16(22)10-6-14)25-17(12-23-20)19(26)24-13-21(2,27)15-7-8-15/h5-6,9-10,12,15,27H,3-4,7-8,11,13H2,1-2H3,(H,24,26)/t21-/m0/s1