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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-[3-(3-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=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H24N4O2S/c26-19(9-10-20-23-21(24-27-20)16-11-14-28-15-16)22-17-5-7-18(8-6-17)25-12-3-1-2-4-13-25/h5-8,11,14-15H,1-4,9-10,12-13H2,(H,22,26)