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

Systemtic Name: 5-phenyl-3-[[4-(quinolin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-phenyl-3-[[4-(2-quinolylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-phenyl-3-[[4-(2-quinolinylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-phenyl-3-[[4-(quinolin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-phenyl-3-[[4-(2-quinolylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Formula: C24H25N5O MolecularWeight: 399.4882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NOC(=N2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=NOC(=N2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H25N5O/c1-2-8-20(9-3-1)24-26-23(27-30-24)18-29-14-6-13-28(15-16-29)17-21-12-11-19-7-4-5-10-22(19)25-21/h1-5,7-12H,6,13-18H2