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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(4-cyanobenzyl)piperazino]acetamide Formula: C21H23ClN4O MolecularWeight: 382.88652

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O/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)