N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H23N3O2S/c1-25-17-8-6-15(7-9-17)18-5-3-2-4-11-23(18)14-19(24)22-20-16(13-21)10-12-26-20/h6-10,12,18H,2-5,11,14H2,1H3,(H,22,24)/t18-/m1/s1