[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(2-methylindol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(2-methylindol-1-yl)ethanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(2-methylindol-1-yl)acetate CAS Name: 2-(2-methyl-1-indolyl)acetic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(2-methylindol-1-yl)acetate Traditional Name: 2-(2-methylindol-1-yl)acetic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CC(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CC(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O3/c1-16-13-17-5-2-3-6-18(17)26(16)14-20(28)29-15-19(27)24-9-11-25(12-10-24)21-22-7-4-8-23-21/h2-8,13H,9-12,14-15H2,1H3