N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-phenyl-butanamide

Systemtic Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-phenyl-butanamide Openeye Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-phenyl-butanamide CAS Name: N-[[(2S)-5-(3,6-dimethyl-2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-phenylbutanamide IUPAC Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-phenylbutanamide Traditional Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)coumaran-2-yl]methyl]-4-phenyl-butyramide Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC3=C(C=C2)OC(C3)CNC(=O)CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC3=C(C=C2)O[C@@H](C3)CNC(=O)CCCC4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O2/c1-17-15-26-18(2)25(28-17)20-11-12-23-21(13-20)14-22(30-23)16-27-24(29)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-13,15,22H,6,9-10,14,16H2,1-2H3,(H,27,29)/t22-/m0/s1