3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[3-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[3-keto-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCN3C(=O)OC(=N3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CCN3C(=O)OC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H25N3O4S/c1-28-17-10-8-16(9-11-17)18-6-3-2-4-13-24(18)20(26)12-14-25-22(27)29-21(23-25)19-7-5-15-30-19/h5,7-11,15,18H,2-4,6,12-14H2,1H3/t18-/m1/s1