N-[[(2R)-5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[[(2R)-5-chloro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydrobenzofuran-2-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[[(2R)-5-chloro-7-(4-pyridyl)coumaran-2-yl]methyl]isonipecotamide Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C22H24ClN3O3/c1-14(27)26-8-4-16(5-9-26)22(28)25-13-19-11-17-10-18(23)12-20(21(17)29-19)15-2-6-24-7-3-15/h2-3,6-7,10,12,16,19H,4-5,8-9,11,13H2,1H3,(H,25,28)/t19-/m1/s1