N-(5-chloranyl-2-cyano-phenyl)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(3S)-3-methyl-4-(m-tolyl)piperazino]acetamide Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C21H23ClN4O/c1-15-4-3-5-19(10-15)26-9-8-25(13-16(26)2)14-21(27)24-20-11-18(22)7-6-17(20)12-23/h3-7,10-11,16H,8-9,13-14H2,1-2H3,(H,24,27)/t16-/m0/s1