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

Systemtic Name: ethyl 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(2-pyrimidyl)piperazino]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H25N5O2/c1-3-29-21(28)20-16(2)17-7-4-5-8-18(17)25-19(20)15-26-11-13-27(14-12-26)22-23-9-6-10-24-22/h4-10H,3,11-15H2,1-2H3