1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S/c25-19(14-17-8-4-13-27-17)24-10-5-9-23(11-12-24)15-18-21-20(26-22-18)16-6-2-1-3-7-16/h1-4,6-8,13H,5,9-12,14-15H2