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

Systemtic Name: ethyl 4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-pyrazin-2-ylpiperazino)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=CN=C4)C

Isomeric SMILES

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

InChI

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