tert-butyl 4-[1-(4-fluorophenyl)-5-pyrimidin-2-yl-indol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-fluorophenyl)-5-pyrimidin-2-yl-indol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-fluorophenyl)-5-pyrimidin-2-yl-indol-3-yl]piperidine-1-carboxylate CAS Name: 4-[1-(4-fluorophenyl)-5-(2-pyrimidinyl)-3-indolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)-5-(2-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=NC=CC=N4)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(C3=C2C=C(C=C3)C4=NC=CC=N4)C5=CC=C(C=C5)F

InChI

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