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

Systemtic Name: tert-butyl 4-[[4-azanyl-2-[(5-chloranylpyridin-2-yl)carbamoyl]phenyl]-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-2-[(5-chloro-2-pyridyl)carbamoyl]-N-methyl-anilino]piperidine-1-carboxylate CAS Name: 4-[4-amino-2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-N-methylanilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-2-[(5-chloropyridin-2-yl)carbamoyl]-N-methylanilino]piperidine-1-carboxylate Traditional Name: 4-[4-amino-2-[(5-chloro-2-pyridyl)carbamoyl]-N-methyl-anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H30ClN5O3 MolecularWeight: 459.969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=C(C=C(C=C2)N)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=C(C=C(C=C2)N)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C23H30ClN5O3/c1-23(2,3)32-22(31)29-11-9-17(10-12-29)28(4)19-7-6-16(25)13-18(19)21(30)27-20-8-5-15(24)14-26-20/h5-8,13-14,17H,9-12,25H2,1-4H3,(H,26,27,30)