N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(4-cyanobenzyl)piperazino]acetamide Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O/c1-16-11-17(2)22(20(23)12-16)25-21(28)15-27-9-7-26(8-10-27)14-19-5-3-18(13-24)4-6-19/h3-6,11-12H,7-10,14-15H2,1-2H3,(H,25,28)