tert-butyl 4-[1-(4-fluorophenyl)-5-pyrimidin-5-yl-indol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-fluorophenyl)-5-pyrimidin-5-yl-indol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-fluorophenyl)-5-pyrimidin-5-yl-indol-3-yl]piperidine-1-carboxylate CAS Name: 4-[1-(4-fluorophenyl)-5-(5-pyrimidinyl)-3-indolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-fluorophenyl)-5-pyrimidin-5-ylindol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)-5-(5-pyrimidyl)indol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H29FN4O2 MolecularWeight: 472.553863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(C3=C2C=C(C=C3)C4=CN=CN=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(C3=C2C=C(C=C3)C4=CN=CN=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H29FN4O2/c1-28(2,3)35-27(34)32-12-10-19(11-13-32)25-17-33(23-7-5-22(29)6-8-23)26-9-4-20(14-24(25)26)21-15-30-18-31-16-21/h4-9,14-19H,10-13H2,1-3H3