N-(2,3-dimethylphenyl)-2-[4-[2-(phenoxymethyl)phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[2-(phenoxymethyl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo-[2-(phenoxymethyl)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-(phenoxymethyl)benzoyl]piperazino]acetamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3COC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3COC4=CC=CC=C4)C

InChI

InChI=1S/C28H31N3O3/c1-21-9-8-14-26(22(21)2)29-27(32)19-30-15-17-31(18-16-30)28(33)25-13-7-6-10-23(25)20-34-24-11-4-3-5-12-24/h3-14H,15-20H2,1-2H3,(H,29,32)