tert-butyl 4-[[3-[(5-chloranylpyridin-2-yl)carbamoyl]pyridin-4-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-[(5-chloranylpyridin-2-yl)carbamoyl]pyridin-4-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[(5-chloro-2-pyridyl)carbamoyl]-4-pyridyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[3-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-4-pyridinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[(5-chloropyridin-2-yl)carbamoyl]pyridin-4-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-[(5-chloro-2-pyridyl)carbamoyl]-4-pyridyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H26ClN5O4 MolecularWeight: 459.92594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C=NC=C2)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C=NC=C2)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN5O4/c1-22(2,3)32-21(31)28-10-7-14(8-11-28)19(29)26-17-6-9-24-13-16(17)20(30)27-18-5-4-15(23)12-25-18/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,24,26,29)(H,25,27,30)