5-methyl-N-[(1R,3R)-3-[2-(3-methylphenyl)ethynyl]-3-oxidanyl-cyclohexyl]pyrazine-2-carboxamide

Systemtic Name: 5-methyl-N-[(1R,3R)-3-[2-(3-methylphenyl)ethynyl]-3-oxidanyl-cyclohexyl]pyrazine-2-carboxamide Openeye Name: N-[(1R,3R)-3-hydroxy-3-[2-(m-tolyl)ethynyl]cyclohexyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-[(1R,3R)-3-hydroxy-3-[2-(3-methylphenyl)ethynyl]cyclohexyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[(1R,3R)-3-hydroxy-3-[2-(3-methylphenyl)ethynyl]cyclohexyl]-5-methylpyrazine-2-carboxamide Traditional Name: N-[(1R,3R)-3-hydroxy-3-[2-(m-tolyl)ethynyl]cyclohexyl]-5-methyl-pyrazinamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC2(CCCC(C2)NC(=O)C3=CN=C(C=N3)C)O

Isomeric SMILES

CC1=CC=CC(=C1)C#C[C@]2(CCC[C@H](C2)NC(=O)C3=CN=C(C=N3)C)O

InChI

InChI=1S/C21H23N3O2/c1-15-5-3-6-17(11-15)8-10-21(26)9-4-7-18(12-21)24-20(25)19-14-22-16(2)13-23-19/h3,5-6,11,13-14,18,26H,4,7,9,12H2,1-2H3,(H,24,25)/t18-,21+/m1/s1