[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C25H29N5O3 MolecularWeight: 447.52946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H29N5O3/c1-3-8-20-18(4-2)23(19-9-5-6-10-21(19)28-20)24(32)33-17-22(31)29-13-15-30(16-14-29)25-26-11-7-12-27-25/h5-7,9-12H,3-4,8,13-17H2,1-2H3