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

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,8-dimethyl-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,8-dimethyl-quinoline-3-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6,8-dimethyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6,8-dimethylquinoline-3-carboxylate Traditional Name: 6,8-dimethyl-4-(4-piperonylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-4-31-26(30)21-14-27-24-18(3)11-17(2)12-20(24)25(21)29-9-7-28(8-10-29)15-19-5-6-22-23(13-19)33-16-32-22/h5-6,11-14H,4,7-10,15-16H2,1-3H3