tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]phenyl]iminomethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]phenyl]iminomethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]phenyl]iminomethyl]piperidine-1-carboxylate CAS Name: 4-[[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]phenyl]iminomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(5-chloropyridin-2-yl)carbamoyl]phenyl]iminomethyl]piperidine-1-carboxylate Traditional Name: 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]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=CC=CC=C2C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C=NC2=CC=CC=C2C(=O)NC3=NC=C(C=C3)Cl

InChI

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