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

Systemtic Name: 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-thenyl)-1,4-diazepan-1-yl]propan-1-one Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CN=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CN=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C20H23N5O2S/c26-19(7-6-18-22-20(23-27-18)16-4-1-8-21-14-16)25-10-3-9-24(11-12-25)15-17-5-2-13-28-17/h1-2,4-5,8,13-14H,3,6-7,9-12,15H2