2-(3,5-dimethylphenoxy)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[4-(4-isovalerylpiperazino)phenyl]acetamide Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)C

InChI

InChI=1S/C25H33N3O3/c1-18(2)13-25(30)28-11-9-27(10-12-28)22-7-5-21(6-8-22)26-24(29)17-31-23-15-19(3)14-20(4)16-23/h5-8,14-16,18H,9-13,17H2,1-4H3,(H,26,29)