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

Systemtic Name: ethyl 6-chloranyl-4-[[1-(dipropylamino)-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-[[2-(dipropylamino)-1-methyl-2-oxo-ethyl]amino]quinoline-3-carboxylate CAS Name: 6-chloro-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]quinoline-3-carboxylate Traditional Name: 6-chloro-4-[[2-(dipropylamino)-2-keto-1-methyl-ethyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(C)NC1=C2C=C(C=CC2=NC=C1C(=O)OCC)Cl

Isomeric SMILES

CCCN(CCC)C(=O)C(C)NC1=C2C=C(C=CC2=NC=C1C(=O)OCC)Cl

InChI

InChI=1S/C21H28ClN3O3/c1-5-10-25(11-6-2)20(26)14(4)24-19-16-12-15(22)8-9-18(16)23-13-17(19)21(27)28-7-3/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,23,24)