tert-butyl 4-[(3-bromanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-bromanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate CAS Name: 4-[(3-bromo-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate Traditional Name: 4-[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H26BrN5O2 MolecularWeight: 472.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC(=NC3=C(C=NN23)Br)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC(=NC3=C(C=NN23)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H26BrN5O2/c1-22(2,3)30-21(29)27-11-9-16(10-12-27)25-19-13-18(15-7-5-4-6-8-15)26-20-17(23)14-24-28(19)20/h4-8,13-14,16,25H,9-12H2,1-3H3