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

Systemtic Name: ethyl 4-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-phenyl-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[(4-pyrazin-2-ylpiperazino)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=NC=CN=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C4=NC=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-2-34-27(33)26-23(19-31-14-16-32(17-15-31)24-18-28-12-13-29-24)30-22-11-7-6-10-21(22)25(26)20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3