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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3,5-dimethylisoxazol-4-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3,5-dimethyl-4-isoxazolyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3,5-dimethylisoxazol-4-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C16H21N3O2S/c1-12-15(13(2)21-17-12)16(20)19-7-4-6-18(8-9-19)11-14-5-3-10-22-14/h3,5,10H,4,6-9,11H2,1-2H3