(2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: (2S)-N-[(1R)-1-phenylbutyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-[(1R)-1-phenylbutyl]-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-3-8-19(18-9-5-4-6-10-18)24-20(27)17(2)25-13-15-26(16-14-25)21-22-11-7-12-23-21/h4-7,9-12,17,19H,3,8,13-16H2,1-2H3,(H,24,27)/t17-,19+/m0/s1