[(1R)-1-[4-[(3S)-3-methyl-4-quinoxalin-2-yl-piperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate

Systemtic Name: [(1R)-1-[4-[(3S)-3-methyl-4-quinoxalin-2-yl-piperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate Openeye Name: [(1R)-1-[4-[(3S)-3-methyl-4-quinoxalin-2-yl-piperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate CAS Name: butanoic acid [(1R)-1-[4-[(3S)-3-methyl-4-(2-quinoxalinyl)-1-piperazinyl]-2-pyrimidinyl]ethyl] ester IUPAC Name: [(1R)-1-[4-[(3S)-3-methyl-4-quinoxalin-2-ylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate Traditional Name: butyric acid [(1R)-1-[4-[(3S)-3-methyl-4-quinoxalin-2-yl-piperazino]pyrimidin-2-yl]ethyl] ester Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CCN(C(C2)C)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCCC(=O)O[C@H](C)C1=NC=CC(=N1)N2CCN([C@H](C2)C)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H28N6O2/c1-4-7-22(30)31-17(3)23-24-11-10-20(27-23)28-12-13-29(16(2)15-28)21-14-25-18-8-5-6-9-19(18)26-21/h5-6,8-11,14,16-17H,4,7,12-13,15H2,1-3H3/t16-,17+/m0/s1