2,4-dimethoxy-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

Systemtic Name: 2,4-dimethoxy-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Openeye Name: 2,4-dimethoxy-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(2-pyridylmethoxy)phenyl]methyl]benzamide CAS Name: 2,4-dimethoxy-N-[(3S)-2-oxo-3-azepanyl]-N-[[4-(2-pyridinylmethoxy)phenyl]methyl]benzamide IUPAC Name: 2,4-dimethoxy-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2,4-dimethoxy-N-[4-(2-pyridylmethoxy)benzyl]benzamide Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C4CCCCNC4=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)[C@H]4CCCCNC4=O)OC

InChI

InChI=1S/C28H31N3O5/c1-34-23-13-14-24(26(17-23)35-2)28(33)31(25-8-4-6-16-30-27(25)32)18-20-9-11-22(12-10-20)36-19-21-7-3-5-15-29-21/h3,5,7,9-15,17,25H,4,6,8,16,18-19H2,1-2H3,(H,30,32)/t25-/m0/s1