4-[[4-[3-(2-isocyanoethylamino)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[4-[3-(2-isocyanoethylamino)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[4-[3-(2-isocyanoethylamino)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexanol CAS Name: 4-[[4-[3-(2-isocyanoethylamino)-5-methyl-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[4-[3-(2-isocyanoethylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[4-[3-(2-isocyanoethylamino)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexanol Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)NCC[N+]#[C-])C3=NC(=NC=C3)NC4CCC(CC4)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)NCC[N+]#[C-])C3=NC(=NC=C3)NC4CCC(CC4)O

InChI

InChI=1S/C23H27N7O/c1-16-21(20-12-13-26-23(28-20)27-17-8-10-19(31)11-9-17)22(25-15-14-24-2)29-30(16)18-6-4-3-5-7-18/h3-7,12-13,17,19,31H,8-11,14-15H2,1H3,(H,25,29)(H,26,27,28)