[(1R)-1-[4-(4-isoquinolin-1-ylpiperazin-1-yl)pyrimidin-2-yl]ethyl] ethanoate

Systemtic Name: [(1R)-1-[4-(4-isoquinolin-1-ylpiperazin-1-yl)pyrimidin-2-yl]ethyl] ethanoate Openeye Name: [(1R)-1-[4-[4-(1-isoquinolyl)piperazin-1-yl]pyrimidin-2-yl]ethyl] acetate CAS Name: acetic acid [(1R)-1-[4-[4-(1-isoquinolinyl)-1-piperazinyl]-2-pyrimidinyl]ethyl] ester IUPAC Name: [(1R)-1-[4-(4-isoquinolin-1-ylpiperazin-1-yl)pyrimidin-2-yl]ethyl] acetate Traditional Name: acetic acid [(1R)-1-[4-[4-(1-isoquinolyl)piperazino]pyrimidin-2-yl]ethyl] ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC(=N1)N2CCN(CC2)C3=NC=CC4=CC=CC=C43)OC(=O)C

Isomeric SMILES

C[C@H](C1=NC=CC(=N1)N2CCN(CC2)C3=NC=CC4=CC=CC=C43)OC(=O)C

InChI

InChI=1S/C21H23N5O2/c1-15(28-16(2)27)20-22-10-8-19(24-20)25-11-13-26(14-12-25)21-18-6-4-3-5-17(18)7-9-23-21/h3-10,15H,11-14H2,1-2H3/t15-/m1/s1