1,2-oxazol-5-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone hydrochloride

Systemtic Name: 1,2-oxazol-5-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone hydrochloride Openeye Name: isoxazol-5-yl-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone hydrochloride CAS Name: 5-isoxazolyl-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methanone hydrochloride IUPAC Name: 1,2-oxazol-5-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone hydrochloride Traditional Name: isoxazol-5-yl-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone hydrochloride Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=NO2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5.Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=NO2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5.Cl

InChI

InChI=1S/C22H21N3O3S.ClH/c26-22(21-4-6-23-28-21)25-8-1-7-24(9-10-25)14-19-13-18-12-16(2-3-20(18)27-19)17-5-11-29-15-17;/h2-6,11-13,15H,1,7-10,14H2;1H