ethyl 6-chloranyl-4-[[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-[[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-[[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]amino]quinoline-3-carboxylate CAS Name: 6-chloro-4-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]quinoline-3-carboxylate Traditional Name: 6-chloro-4-[[2-keto-2-(3-methylpiperidino)ethyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N3CCCC(C3)C)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N3CCCC(C3)C)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-3-27-20(26)16-10-22-17-7-6-14(21)9-15(17)19(16)23-11-18(25)24-8-4-5-13(2)12-24/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,22,23)