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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC=C4

InChI

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