ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloranyl-8-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloranyl-8-methyl-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloro-8-methyl-quinoline-3-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-chloro-8-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloro-8-methylquinoline-3-carboxylate Traditional Name: 7-chloro-8-methyl-4-(4-piperonylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl)C

InChI

InChI=1S/C25H26ClN3O4/c1-3-31-25(30)19-13-27-23-16(2)20(26)6-5-18(23)24(19)29-10-8-28(9-11-29)14-17-4-7-21-22(12-17)33-15-32-21/h4-7,12-13H,3,8-11,14-15H2,1-2H3