2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O2/c1-16(27)26-10-7-17-5-2-3-6-18(17)19(26)15-20(28)24-11-13-25(14-12-24)21-22-8-4-9-23-21/h2-10,19H,11-15H2,1H3