1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CSC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CSC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c26-20(8-7-19-22-21(23-27-19)18-9-14-28-16-18)25-11-4-10-24(12-13-25)15-17-5-2-1-3-6-17/h1-3,5-6,9,14,16H,4,7-8,10-13,15H2