methyl 4-[5-[(4-phenylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate

Systemtic Name: methyl 4-[5-[(4-phenylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate Openeye Name: methyl 4-[5-[(4-phenylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate CAS Name: 4-[5-[(4-phenyl-1-azepanyl)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(4-phenylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate Traditional Name: 4-[5-[(4-phenylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NOC(=N2)CN3CCCC(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NOC(=N2)CN3CCCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-28-23(27)20-11-9-19(10-12-20)22-24-21(29-25-22)16-26-14-5-8-18(13-15-26)17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,5,8,13-16H2,1H3