N-(5-chloranyl-2-methyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[4-(4-cyanobenzyl)piperazino]propionamide Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

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