ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-8-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-8-methyl-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-8-methyl-quinoline-3-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-8-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-8-methylquinoline-3-carboxylate Traditional Name: 6-chloro-8-methyl-4-(4-piperonylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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