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

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-quinoline-3-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloroquinoline-3-carboxylate Traditional Name: 6-chloro-4-(4-piperonylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C24H24ClN3O4 MolecularWeight: 453.91806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O4/c1-2-30-24(29)19-13-26-20-5-4-17(25)12-18(20)23(19)28-9-7-27(8-10-28)14-16-3-6-21-22(11-16)32-15-31-21/h3-6,11-13H,2,7-10,14-15H2,1H3