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

Systemtic Name: ethyl 4-methyl-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(m-tolyl)piperazin-1-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(m-tolyl)piperazino]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-4-30-25(29)24-19(3)21-10-5-6-11-22(21)26-23(24)17-27-12-14-28(15-13-27)20-9-7-8-18(2)16-20/h5-11,16H,4,12-15,17H2,1-3H3