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

Systemtic Name: N-[[(2R)-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyrazol-1-yl-benzamide Openeye Name: N-[[(2R)-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyrazol-1-yl-benzamide CAS Name: N-[[(2R)-5-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(1-pyrazolyl)benzamide IUPAC Name: N-[[(2R)-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyrazol-1-ylbenzamide Traditional Name: N-[[(2R)-5-pyrazin-2-ylcoumaran-2-yl]methyl]-3-pyrazol-1-yl-benzamide Formula: C23H19N5O2 MolecularWeight: 397.42926

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)C3=NC=CN=C3)CNC(=O)C4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1[C@@H](OC2=C1C=C(C=C2)C3=NC=CN=C3)CNC(=O)C4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C23H19N5O2/c29-23(17-3-1-4-19(12-17)28-10-2-7-27-28)26-14-20-13-18-11-16(5-6-22(18)30-20)21-15-24-8-9-25-21/h1-12,15,20H,13-14H2,(H,26,29)/t20-/m1/s1