1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-29-20-13-11-18(12-14-20)21-10-6-3-7-17-27(21)23(28)16-15-22-25-24(26-30-22)19-8-4-2-5-9-19/h2,4-5,8-9,11-14,21H,3,6-7,10,15-17H2,1H3/t21-/m1/s1