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

Systemtic Name: 1,2-oxazol-5-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: isoxazol-5-yl-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone CAS Name: 5-isoxazolyl-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,2-oxazol-5-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: isoxazol-5-yl-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone Formula: C22H21N3O3S MolecularWeight: 407.48544

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/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