tert-butyl 4-[4-(6-chloranylpyrimidin-4-yl)piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(6-chloranylpyrimidin-4-yl)piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(6-chloropyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(6-chloro-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(6-chloropyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-(6-chloropyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H28ClN5O3 MolecularWeight: 409.91032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)C3=CC(=NC=N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)C3=CC(=NC=N3)Cl

InChI

InChI=1S/C19H28ClN5O3/c1-19(2,3)28-18(27)25-6-4-14(5-7-25)17(26)24-10-8-23(9-11-24)16-12-15(20)21-13-22-16/h12-14H,4-11H2,1-3H3