tert-butyl 4-[[4-chloranyl-2-(pyridin-2-ylcarbamoyl)phenyl]iminomethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-chloranyl-2-(pyridin-2-ylcarbamoyl)phenyl]iminomethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-chloro-2-(2-pyridylcarbamoyl)phenyl]iminomethyl]piperidine-1-carboxylate CAS Name: 4-[[4-chloro-2-[oxo-(2-pyridinylamino)methyl]phenyl]iminomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-chloro-2-(pyridin-2-ylcarbamoyl)phenyl]iminomethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-chloro-2-(2-pyridylcarbamoyl)phenyl]iminomethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C=NC2=C(C=C(C=C2)Cl)C(=O)NC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C=NC2=C(C=C(C=C2)Cl)C(=O)NC3=CC=CC=N3

InChI

InChI=1S/C23H27ClN4O3/c1-23(2,3)31-22(30)28-12-9-16(10-13-28)15-26-19-8-7-17(24)14-18(19)21(29)27-20-6-4-5-11-25-20/h4-8,11,14-16H,9-10,12-13H2,1-3H3,(H,25,27,29)