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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c26-19(11-12-20-23-21(24-27-20)18-10-7-15-28-18)22-16-8-3-4-9-17(16)25-13-5-1-2-6-14-25/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,22,26)