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

Systemtic Name: (2S)-N-phenethyl-N-(phenylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-benzyl-N-phenethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: (2S)-N-phenethyl-N-(phenylmethyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-benzyl-N-phenethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-benzyl-N-phenethyl-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC1=CC=CC=C1)CC2=CC=CC=C2)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)N(CCC1=CC=CC=C1)CC2=CC=CC=C2)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C26H31N5O/c1-22(29-17-19-30(20-18-29)26-27-14-8-15-28-26)25(32)31(21-24-11-6-3-7-12-24)16-13-23-9-4-2-5-10-23/h2-12,14-15,22H,13,16-21H2,1H3/t22-/m0/s1