methyl 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-1-methyl-2-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: methyl 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-1-methyl-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: methyl 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-6-chloro-1-methyl-2-oxo-quinoline-3-carboxylate CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-chloro-1-methyl-2-oxo-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloro-1-methyl-2-oxoquinoline-3-carboxylate Traditional Name: 6-chloro-2-keto-1-methyl-4-[(1-piperonyl-4-piperidyl)amino]quinoline-3-carboxylic acid methyl ester Formula: C25H26ClN3O5 MolecularWeight: 483.94404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)OC)NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)OC)NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26ClN3O5/c1-28-19-5-4-16(26)12-18(19)23(22(24(28)30)25(31)32-2)27-17-7-9-29(10-8-17)13-15-3-6-20-21(11-15)34-14-33-20/h3-6,11-12,17,27H,7-10,13-14H2,1-2H3