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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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