N-(2,6-dimethylphenyl)-2-[4-[4-(phenoxymethyl)phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[4-(phenoxymethyl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[4-(phenoxymethyl)benzoyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-[4-(phenoxymethyl)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[4-(phenoxymethyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[4-(phenoxymethyl)benzoyl]piperazino]acetamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

InChI

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