1-benzothiophen-2-yl-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=NC=CN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=NC=CN4CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4OS/c30-25(23-17-21-9-4-5-10-22(21)31-23)28-13-6-12-27(15-16-28)19-24-26-11-14-29(24)18-20-7-2-1-3-8-20/h1-5,7-11,14,17H,6,12-13,15-16,18-19H2