4-[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

Systemtic Name: 4-[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine Openeye Name: 4-[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine CAS Name: 4-[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[3-(trifluoromethyl)phenyl]-4-pyridazinyl]-N-[(1S)-1-phenylethyl]-2-pyrimidinamine IUPAC Name: 4-[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine Traditional Name: [4-[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-yl]-[(1S)-1-phenylethyl]amine Formula: C32H33F3N6 MolecularWeight: 558.63983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)C3=CC(=NN=C3C4=CC(=CC=C4)C(F)(F)F)N5CCCC6C5CCCC6

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC=CC(=N2)C3=CC(=NN=C3C4=CC(=CC=C4)C(F)(F)F)N5CCCC6C5CCCC6

InChI

InChI=1S/C32H33F3N6/c1-21(22-9-3-2-4-10-22)37-31-36-17-16-27(38-31)26-20-29(41-18-8-13-23-11-5-6-15-28(23)41)39-40-30(26)24-12-7-14-25(19-24)32(33,34)35/h2-4,7,9-10,12,14,16-17,19-21,23,28H,5-6,8,11,13,15,18H2,1H3,(H,36,37,38)/t21-,23?,28?/m0/s1