tert-butyl 4-(7-chloranylquinolin-4-yl)-4-cyano-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(7-chloranylquinolin-4-yl)-4-cyano-piperidine-1-carboxylate Openeye Name: tert-butyl 4-(7-chloro-4-quinolyl)-4-cyano-piperidine-1-carboxylate CAS Name: 4-(7-chloro-4-quinolinyl)-4-cyano-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-chloroquinolin-4-yl)-4-cyanopiperidine-1-carboxylate Traditional Name: 4-(7-chloro-4-quinolyl)-4-cyano-piperidine-1-carboxylic acid tert-butyl ester Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=C3C=CC(=CC3=NC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=C3C=CC(=CC3=NC=C2)Cl

InChI

InChI=1S/C20H22ClN3O2/c1-19(2,3)26-18(25)24-10-7-20(13-22,8-11-24)16-6-9-23-17-12-14(21)4-5-15(16)17/h4-6,9,12H,7-8,10-11H2,1-3H3