N-cyclohexyl-4-[3-methyl-1-(3-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine

Systemtic Name: N-cyclohexyl-4-[3-methyl-1-(3-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine Openeye Name: 4-[1-(3-benzyloxyphenyl)-3-methyl-pyrazol-4-yl]-N-cyclohexyl-pyrimidin-2-amine CAS Name: N-cyclohexyl-4-[3-methyl-1-(3-phenylmethoxyphenyl)-4-pyrazolyl]-2-pyrimidinamine IUPAC Name: N-cyclohexyl-4-[3-methyl-1-(3-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine Traditional Name: [4-[1-(3-benzoxyphenyl)-3-methyl-pyrazol-4-yl]pyrimidin-2-yl]-cyclohexyl-amine Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)NC3CCCCC3)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)NC3CCCCC3)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O/c1-20-25(26-15-16-28-27(30-26)29-22-11-6-3-7-12-22)18-32(31-20)23-13-8-14-24(17-23)33-19-21-9-4-2-5-10-21/h2,4-5,8-10,13-18,22H,3,6-7,11-12,19H2,1H3,(H,28,29,30)