tert-butyl 4-[2-(4-chloranyl-2-phenyl-imidazo[4,5-c]quinolin-1-yl)ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-chloranyl-2-phenyl-imidazo[4,5-c]quinolin-1-yl)ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chloro-2-phenyl-imidazo[4,5-c]quinolin-1-yl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-chloro-2-phenyl-1-imidazo[4,5-c]quinolinyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chloro-2-phenylimidazo[4,5-c]quinolin-1-yl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-chloro-2-phenyl-imidazo[4,5-c]quinolin-1-yl)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H30ClN5O2 MolecularWeight: 492.0124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCN2C3=C(C(=NC4=CC=CC=C43)Cl)N=C2C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCN2C3=C(C(=NC4=CC=CC=C43)Cl)N=C2C5=CC=CC=C5

InChI

InChI=1S/C27H30ClN5O2/c1-27(2,3)35-26(34)32-16-13-31(14-17-32)15-18-33-23-20-11-7-8-12-21(20)29-24(28)22(23)30-25(33)19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3