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

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-13-10-14(17-21-13)12-18-5-3-6-19(8-7-18)16(20)11-15-4-2-9-22-15/h2,4,9-10H,3,5-8,11-12H2,1H3