tert-butyl 4-[6-(2-chloranylpyridin-4-yl)-4-(ethylcarbamoyl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(2-chloranylpyridin-4-yl)-4-(ethylcarbamoyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(2-chloro-4-pyridyl)-4-(ethylcarbamoyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[6-(2-chloro-4-pyridinyl)-4-(ethylcarbamoyl)-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(2-chloropyridin-4-yl)-4-(ethylcarbamoyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(2-chloro-4-pyridyl)-4-(ethylcarbamoyl)-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=NC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCNC(=O)C1=CC(=NC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C22H28ClN5O3/c1-5-24-20(29)16-12-17(15-6-7-25-18(23)13-15)26-19(14-16)27-8-10-28(11-9-27)21(30)31-22(2,3)4/h6-7,12-14H,5,8-11H2,1-4H3,(H,24,29)