tert-butyl 4-[7-chloranyl-2-(cyclopropylmethylamino)quinolin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-chloranyl-2-(cyclopropylmethylamino)quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-chloro-2-(cyclopropylmethylamino)-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-(cyclopropylmethylamino)-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-chloro-2-(cyclopropylmethylamino)quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-2-(cyclopropylmethylamino)-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)NCC4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)NCC4CC4

InChI

InChI=1S/C22H29ClN4O2/c1-22(2,3)29-21(28)27-10-8-26(9-11-27)19-13-20(24-14-15-4-5-15)25-18-12-16(23)6-7-17(18)19/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,24,25)