(2S)-N-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(p-tolyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-(p-tolyl)-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C18H23N5O MolecularWeight: 325.40812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O/c1-14-4-6-16(7-5-14)21-17(24)15(2)22-10-12-23(13-11-22)18-19-8-3-9-20-18/h3-9,15H,10-13H2,1-2H3,(H,21,24)/t15-/m0/s1