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

Systemtic Name: 2-methoxy-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]benzamide Openeye Name: 2-methoxy-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-[3-(3-pyridyl)propoxy]phenyl]methyl]benzamide CAS Name: 2-methoxy-N-[(3S)-2-oxo-3-azepanyl]-N-[[4-[3-(3-pyridinyl)propoxy]phenyl]methyl]benzamide IUPAC Name: 2-methoxy-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(3-pyridin-3-ylpropoxy)phenyl]methyl]benzamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-methoxy-N-[4-[3-(3-pyridyl)propoxy]benzyl]benzamide Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)C4CCCCNC4=O

Isomeric SMILES

COC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)OCCCC3=CN=CC=C3)[C@H]4CCCCNC4=O

InChI

InChI=1S/C29H33N3O4/c1-35-27-12-3-2-10-25(27)29(34)32(26-11-4-5-18-31-28(26)33)21-23-13-15-24(16-14-23)36-19-7-9-22-8-6-17-30-20-22/h2-3,6,8,10,12-17,20,26H,4-5,7,9,11,18-19,21H2,1H3,(H,31,33)/t26-/m0/s1