3,5-dimethoxy-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]benzamide Openeye Name: 3,5-dimethoxy-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-[3-(3-pyridyl)propoxy]phenyl]methyl]benzamide CAS Name: 3,5-dimethoxy-N-[(3S)-2-oxo-3-azepanyl]-N-[[4-[3-(3-pyridinyl)propoxy]phenyl]methyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-3,5-dimethoxy-N-[4-[3-(3-pyridyl)propoxy]benzyl]benzamide Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)C4CCCCNC4=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)[C@H]4CCCCNC4=O)OC

InChI

InChI=1S/C30H35N3O5/c1-36-26-17-24(18-27(19-26)37-2)30(35)33(28-9-3-4-15-32-29(28)34)21-23-10-12-25(13-11-23)38-16-6-8-22-7-5-14-31-20-22/h5,7,10-14,17-20,28H,3-4,6,8-9,15-16,21H2,1-2H3,(H,32,34)/t28-/m0/s1