2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazino]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C21H23FN4O MolecularWeight: 366.431923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C21H23FN4O/c1-16-2-7-19(12-20(16)22)24-21(27)15-26-10-8-25(9-11-26)14-18-5-3-17(13-23)4-6-18/h2-7,12H,8-11,14-15H2,1H3,(H,24,27)