N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]pyrazole-4-carboxamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]pyrazole-4-carboxamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-3-28-21-10-18-9-16(2)29-22(18)11-19(21)12-24-23(27)20-13-25-26(15-20)14-17-7-5-4-6-8-17/h4-8,10-11,13,15-16H,3,9,12,14H2,1-2H3,(H,24,27)/t16-/m0/s1