2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CC(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-32-25-13-11-23(12-14-25)26-10-6-3-7-17-30(26)21-27(31)28-24-15-18-29(19-16-24)20-22-8-4-2-5-9-22/h2,4-5,8-9,11-14,24,26H,3,6-7,10,15-21H2,1H3,(H,28,31)/t26-/m1/s1