4-[6-(4-azanylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-phenethyl-pyrimidin-2-amine

Systemtic Name: 4-[6-(4-azanylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-phenethyl-pyrimidin-2-amine Openeye Name: 4-[6-(4-amino-1-piperidyl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-phenethyl-pyrimidin-2-amine CAS Name: 4-[6-(4-amino-1-piperidinyl)-3-[3-(trifluoromethyl)phenyl]-4-pyridazinyl]-N-phenethyl-2-pyrimidinamine IUPAC Name: 4-[6-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-phenethylpyrimidin-2-amine Traditional Name: [4-[6-(4-aminopiperidino)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-yl]-phenethyl-amine Formula: C28H28F3N7 MolecularWeight: 519.56403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=NN=C(C(=C2)C3=NC(=NC=C3)NCCC4=CC=CC=C4)C5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCC1N)C2=NN=C(C(=C2)C3=NC(=NC=C3)NCCC4=CC=CC=C4)C5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C28H28F3N7/c29-28(30,31)21-8-4-7-20(17-21)26-23(18-25(36-37-26)38-15-11-22(32)12-16-38)24-10-14-34-27(35-24)33-13-9-19-5-2-1-3-6-19/h1-8,10,14,17-18,22H,9,11-13,15-16,32H2,(H,33,34,35)