N-[[(2R)-5-chloranyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide Openeye Name: N-[[(2R)-5-chloro-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide CAS Name: N-[[(2R)-5-chloro-7-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(3,5-dimethyl-1-pyrazolyl)benzamide IUPAC Name: N-[[(2R)-5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide Traditional Name: N-[[(2R)-5-chloro-7-pyrazin-2-yl-coumaran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide Formula: C25H22ClN5O2 MolecularWeight: 459.92748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C(=O)NCC3CC4=C(O3)C(=CC(=C4)Cl)C5=NC=CN=C5)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C(=O)NC[C@H]3CC4=C(O3)C(=CC(=C4)Cl)C5=NC=CN=C5)C

InChI

InChI=1S/C25H22ClN5O2/c1-15-8-16(2)31(30-15)20-5-3-4-17(10-20)25(32)29-13-21-11-18-9-19(26)12-22(24(18)33-21)23-14-27-6-7-28-23/h3-10,12,14,21H,11,13H2,1-2H3,(H,29,32)/t21-/m1/s1