ethyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H28ClN3O2 MolecularWeight: 437.96172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O2/c1-4-31-25(30)24-18(3)20-7-5-6-8-21(20)27-22(24)16-28-11-13-29(14-12-28)23-15-19(26)10-9-17(23)2/h5-10,15H,4,11-14,16H2,1-3H3