N-(oxan-4-ylmethyl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]ethanamide

Systemtic Name: N-(oxan-4-ylmethyl)-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide CAS Name: N-(4-oxanylmethyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-(oxan-4-ylmethyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1COCCC1CNC(=O)C[C@@H]2C(=O)NCCN2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4/c29-24(27-17-19-9-13-31-14-10-19)16-23-25(30)26-11-12-28(23)18-20-5-4-8-22(15-20)32-21-6-2-1-3-7-21/h1-8,15,19,23H,9-14,16-18H2,(H,26,30)(H,27,29)/t23-/m1/s1