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

Systemtic Name: tert-butyl 4-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]anilino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(5-chloropyridin-2-yl)carbamoyl]phenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[2-[(5-chloro-2-pyridyl)carbamoyl]phenyl]carbamoyl]piperazine-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)N1CCN(CC1)C(=O)NC2=CC=CC=C2C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=CC=CC=C2C(=O)NC3=NC=C(C=C3)Cl

InChI

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