ethyl 1-[7-chloranyl-3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]quinolin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[7-chloranyl-3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]quinolin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[7-chloro-3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-2-quinolyl]piperidine-3-carboxylate CAS Name: 1-[7-chloro-3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-2-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-chloro-3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]quinolin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[7-chloro-3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-2-quinolyl]nipecotic acid ethyl ester Formula: C23H28ClN5O2 MolecularWeight: 441.95372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C3C=CC(=CC3=N2)Cl)CNCCC4=CN=CN4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=C3C=CC(=CC3=N2)Cl)CNCCC4=CN=CN4

InChI

InChI=1S/C23H28ClN5O2/c1-2-31-23(30)17-4-3-9-29(14-17)22-18(12-25-8-7-20-13-26-15-27-20)10-16-5-6-19(24)11-21(16)28-22/h5-6,10-11,13,15,17,25H,2-4,7-9,12,14H2,1H3,(H,26,27)