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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CC2=C(C=C(C=C2)N3C=CN=C3C(=O)C4CC(CCN4)NC5=CC(=CC=C5)F)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)CC2=C(C=C(C=C2)N3C=CN=C3C(=O)C4CC(CCN4)NC5=CC(=CC=C5)F)F

InChI

InChI=1S/C28H34F2N6O/c1-18-15-35(16-19(2)33-18)17-20-6-7-24(14-25(20)30)36-11-10-32-28(36)27(37)26-13-23(8-9-31-26)34-22-5-3-4-21(29)12-22/h3-7,10-12,14,18-19,23,26,31,33-34H,8-9,13,15-17H2,1-2H3/t18-,19+,23?,26?