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

Systemtic Name: 5-phenyl-3-[(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 5-phenyl-3-[[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-phenyl-3-[[4-(8-quinolinylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-phenyl-3-[(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 5-phenyl-3-[[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC4=NOC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CC4=NOC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5O3S/c29-32(30,20-11-4-9-18-10-5-12-24-22(18)20)28-14-6-13-27(15-16-28)17-21-25-23(31-26-21)19-7-2-1-3-8-19/h1-5,7-12H,6,13-17H2