N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[(2S)-5-(3,6-dimethyl-2-pyrazinyl)-7-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-coumaran-2-yl]methyl]-4-pyrazol-1-yl-benzamide Formula: C25H22FN5O2 MolecularWeight: 443.472883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)F)OC(C3)CNC(=O)C4=CC=C(C=C4)N5C=CC=N5)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)F)O[C@@H](C3)CNC(=O)C4=CC=C(C=C4)N5C=CC=N5)C

InChI

InChI=1S/C25H22FN5O2/c1-15-13-27-16(2)23(30-15)18-10-19-11-21(33-24(19)22(26)12-18)14-28-25(32)17-4-6-20(7-5-17)31-9-3-8-29-31/h3-10,12-13,21H,11,14H2,1-2H3,(H,28,32)/t21-/m0/s1