N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-phenylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propionamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)CCC2=NN=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)CCC2=NN=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c30-23(15-16-24-27-28-25(31-24)21-13-7-4-8-14-21)26-19-22(20-11-5-3-6-12-20)29-17-9-1-2-10-18-29/h3-8,11-14,22H,1-2,9-10,15-19H2,(H,26,30)/p+1/t22-/m0/s1