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

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C17H23N3O2S/c1-13-16(14(2)22-18-13)12-19-6-4-7-20(9-8-19)17(21)11-15-5-3-10-23-15/h3,5,10H,4,6-9,11-12H2,1-2H3