3,5-dimethyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C16H22N4O3S/c1-13-16(14(2)23-18-13)24(21,22)20-8-4-7-19(9-10-20)12-15-5-3-6-17-11-15/h3,5-6,11H,4,7-10,12H2,1-2H3