N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-2-carboxamide

Systemtic Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-2-carboxamide Openeye Name: N-[[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-2-carboxamide CAS Name: N-[[3,5-dimethoxy-4-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-quinolinecarboxamide IUPAC Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-2-carboxamide Traditional Name: N-[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl]-N-[(3S)-2-ketoazepan-3-yl]quinaldamide Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN(C3CCCCNC3=O)C(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN([C@H]3CCCCNC3=O)C(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H33N3O5S/c1-37-27-17-22(18-28(38-2)29(27)39-15-12-21-13-16-40-20-21)19-34(26-9-5-6-14-32-30(26)35)31(36)25-11-10-23-7-3-4-8-24(23)33-25/h3-4,7-8,10-11,13,16-18,20,26H,5-6,9,12,14-15,19H2,1-2H3,(H,32,35)/t26-/m0/s1