ethyl 6-chloranyl-4-[[2-[methyl(prop-2-ynyl)amino]-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-[[2-[methyl(prop-2-ynyl)amino]-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-[[2-[methyl(prop-2-ynyl)amino]-2-oxo-ethyl]amino]quinoline-3-carboxylate CAS Name: 6-chloro-4-[[2-[methyl(prop-2-ynyl)amino]-2-oxoethyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-[[2-[methyl(prop-2-ynyl)amino]-2-oxoethyl]amino]quinoline-3-carboxylate Traditional Name: 6-chloro-4-[[2-keto-2-[methyl(propargyl)amino]ethyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N(C)CC#C)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N(C)CC#C)Cl

InChI

InChI=1S/C18H18ClN3O3/c1-4-8-22(3)16(23)11-21-17-13-9-12(19)6-7-15(13)20-10-14(17)18(24)25-5-2/h1,6-7,9-10H,5,8,11H2,2-3H3,(H,20,21)