3,5-dimethyl-4-[(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(8-quinolinylsulfonyl)-1,4-diazepan-1-yl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]methyl]isoxazole Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H24N4O3S/c1-15-18(16(2)27-22-15)14-23-10-5-11-24(13-12-23)28(25,26)19-8-3-6-17-7-4-9-21-20(17)19/h3-4,6-9H,5,10-14H2,1-2H3