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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H28ClN3O2/c1-3-31-25(30)24-18(2)21-6-4-5-7-22(21)27-23(24)17-29-14-12-28(13-15-29)16-19-8-10-20(26)11-9-19/h4-11H,3,12-17H2,1-2H3