ethyl 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(3-chlorophenyl)piperazino]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H26ClN3O2 MolecularWeight: 423.93514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O2/c1-3-30-24(29)23-17(2)20-9-4-5-10-21(20)26-22(23)16-27-11-13-28(14-12-27)19-8-6-7-18(25)15-19/h4-10,15H,3,11-14,16H2,1-2H3