1-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CS2)CC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c27-22(16-20-8-4-15-28-20)25-11-5-10-24(13-14-25)18-21-23-9-12-26(21)17-19-6-2-1-3-7-19/h1-4,6-9,12,15H,5,10-11,13-14,16-18H2