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

Systemtic Name: 5-phenyl-3-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-phenyl-3-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-phenyl-3-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-phenyl-3-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-phenyl-3-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O/c1-2-7-18(8-3-1)20-22-19(23-26-20)16-25-11-5-10-24(12-13-25)15-17-6-4-9-21-14-17/h1-4,6-9,14H,5,10-13,15-16H2