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

Systemtic Name: ethyl 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]-6-chloranyl-quinoline-3-carboxylate Openeye Name: ethyl 4-[[2-(azepan-1-yl)-2-oxo-ethyl]amino]-6-chloro-quinoline-3-carboxylate CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]amino]-6-chloro-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-6-chloroquinoline-3-carboxylate Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]amino]-6-chloro-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)N3CCCCCC3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-2-27-20(26)16-12-22-17-8-7-14(21)11-15(17)19(16)23-13-18(25)24-9-5-3-4-6-10-24/h7-8,11-12H,2-6,9-10,13H2,1H3,(H,22,23)