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

Systemtic Name: 3-chloranyl-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Openeye Name: 3-chloro-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(2-pyridylmethoxy)phenyl]methyl]benzamide CAS Name: 3-chloro-N-[(3S)-2-oxo-3-azepanyl]-N-[[4-(2-pyridinylmethoxy)phenyl]methyl]benzamide IUPAC Name: 3-chloro-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Traditional Name: 3-chloro-N-[(3S)-2-ketoazepan-3-yl]-N-[4-(2-pyridylmethoxy)benzyl]benzamide Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H26ClN3O3/c27-21-7-5-6-20(16-21)26(32)30(24-9-2-4-15-29-25(24)31)17-19-10-12-23(13-11-19)33-18-22-8-1-3-14-28-22/h1,3,5-8,10-14,16,24H,2,4,9,15,17-18H2,(H,29,31)/t24-/m0/s1