[1-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluoranyl-phenyl]imidazol-2-yl]-[4-[(2-fluorophenyl)amino]piperidin-1-yl]methanone

Systemtic Name: [1-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluoranyl-phenyl]imidazol-2-yl]-[4-[(2-fluorophenyl)amino]piperidin-1-yl]methanone Openeye Name: [1-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluoro-phenyl]imidazol-2-yl]-[4-(2-fluoroanilino)-1-piperidyl]methanone CAS Name: [1-[4-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl]-3-fluorophenyl]-2-imidazolyl]-[4-(2-fluoroanilino)-1-piperidinyl]methanone IUPAC Name: [1-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]imidazol-2-yl]-[4-(2-fluoroanilino)piperidin-1-yl]methanone Traditional Name: [1-[4-[[(3R,5S)-3,5-dimethylpiperazino]methyl]-3-fluoro-phenyl]imidazol-2-yl]-[4-(2-fluoroanilino)piperidino]methanone Formula: C28H34F2N6O MolecularWeight: 508.605966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CC2=C(C=C(C=C2)N3C=CN=C3C(=O)N4CCC(CC4)NC5=CC=CC=C5F)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)CC2=C(C=C(C=C2)N3C=CN=C3C(=O)N4CCC(CC4)NC5=CC=CC=C5F)F

InChI

InChI=1S/C28H34F2N6O/c1-19-16-34(17-20(2)32-19)18-21-7-8-23(15-25(21)30)36-14-11-31-27(36)28(37)35-12-9-22(10-13-35)33-26-6-4-3-5-24(26)29/h3-8,11,14-15,19-20,22,32-33H,9-10,12-13,16-18H2,1-2H3/t19-,20+