N-(4-chloranyl-3-methyl-phenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C4=NC=CC=N4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C23H24ClN5O/c1-17-15-20(7-8-21(17)24)27-22(30)19-5-3-18(4-6-19)16-28-11-13-29(14-12-28)23-25-9-2-10-26-23/h2-10,15H,11-14,16H2,1H3,(H,27,30)