tert-butyl 4-[5-[2-[(4-fluoranyl-2-methyl-phenyl)amino]pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[2-[(4-fluoranyl-2-methyl-phenyl)amino]pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-[2-(4-fluoro-2-methyl-anilino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-[2-(4-fluoro-2-methylanilino)-4-pyrimidinyl]-4-(4-fluorophenyl)-1-imidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[2-(4-fluoro-2-methyl-anilino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H32F2N6O2 MolecularWeight: 546.610886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC2=NC=CC(=N2)C3=C(N=CN3C4CCN(CC4)C(=O)OC(C)(C)C)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC2=NC=CC(=N2)C3=C(N=CN3C4CCN(CC4)C(=O)OC(C)(C)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H32F2N6O2/c1-19-17-22(32)9-10-24(19)35-28-33-14-11-25(36-28)27-26(20-5-7-21(31)8-6-20)34-18-38(27)23-12-15-37(16-13-23)29(39)40-30(2,3)4/h5-11,14,17-18,23H,12-13,15-16H2,1-4H3,(H,33,35,36)