4-[5-(azepan-1-ylmethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-cyclohexyl-pyrimidin-2-amine

Systemtic Name: 4-[5-(azepan-1-ylmethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-cyclohexyl-pyrimidin-2-amine Openeye Name: 4-[5-(azepan-1-ylmethyl)-3-(4-fluorophenyl)isoxazol-4-yl]-N-cyclohexyl-pyrimidin-2-amine CAS Name: 4-[5-(1-azepanylmethyl)-3-(4-fluorophenyl)-4-isoxazolyl]-N-cyclohexyl-2-pyrimidinamine IUPAC Name: 4-[5-(azepan-1-ylmethyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-cyclohexylpyrimidin-2-amine Traditional Name: [4-[5-(azepan-1-ylmethyl)-3-(4-fluorophenyl)isoxazol-4-yl]pyrimidin-2-yl]-cyclohexyl-amine Formula: C26H32FN5O MolecularWeight: 449.563583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C(=NO2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5CCCCC5

Isomeric SMILES

C1CCCN(CC1)CC2=C(C(=NO2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5CCCCC5

InChI

InChI=1S/C26H32FN5O/c27-20-12-10-19(11-13-20)25-24(23(33-31-25)18-32-16-6-1-2-7-17-32)22-14-15-28-26(30-22)29-21-8-4-3-5-9-21/h10-15,21H,1-9,16-18H2,(H,28,29,30)