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

Systemtic Name: 3-chloranyl-N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 3-chloro-N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-chloro-N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 3-chloro-N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: 3-chloro-N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]benzamide Formula: C28H30ClN3O4 MolecularWeight: 508.0085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)C(=O)C3=CC(=CC=C3)Cl)OCCC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC(=CC=C3)Cl)OCCC4=CC=CC=N4

InChI

InChI=1S/C28H30ClN3O4/c1-35-26-17-20(11-12-25(26)36-16-13-23-9-2-4-14-30-23)19-32(24-10-3-5-15-31-27(24)33)28(34)21-7-6-8-22(29)18-21/h2,4,6-9,11-12,14,17-18,24H,3,5,10,13,15-16,19H2,1H3,(H,31,33)/t24-/m0/s1