5-chloranyl-2-ethoxy-3-[[4-(phenylmethyl)-1,4-oxazepan-2-yl]methyl]benzamide

Systemtic Name: 5-chloranyl-2-ethoxy-3-[[4-(phenylmethyl)-1,4-oxazepan-2-yl]methyl]benzamide Openeye Name: 3-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-5-chloro-2-ethoxy-benzamide CAS Name: 5-chloro-2-ethoxy-3-[[4-(phenylmethyl)-1,4-oxazepan-2-yl]methyl]benzamide IUPAC Name: 3-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-5-chloro-2-ethoxybenzamide Traditional Name: 3-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-5-chloro-2-ethoxy-benzamide Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C(=O)N)Cl)CC2CN(CCCO2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1C(=O)N)Cl)CC2CN(CCCO2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O3/c1-2-27-21-17(11-18(23)13-20(21)22(24)26)12-19-15-25(9-6-10-28-19)14-16-7-4-3-5-8-16/h3-5,7-8,11,13,19H,2,6,9-10,12,14-15H2,1H3,(H2,24,26)