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

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-4-pyrazol-1-yl-benzamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H23N3O3/c1-3-27-20-12-17-11-15(2)28-21(17)13-18(20)14-23-22(26)16-5-7-19(8-6-16)25-10-4-9-24-25/h4-10,12-13,15H,3,11,14H2,1-2H3,(H,23,26)/t15-/m0/s1