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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(4-cyanobenzyl)piperazino]acetamide Formula: C21H23BrN4O MolecularWeight: 427.33752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O/c1-16-12-19(22)6-7-20(16)24-21(27)15-26-10-8-25(9-11-26)14-18-4-2-17(13-23)3-5-18/h2-7,12H,8-11,14-15H2,1H3,(H,24,27)