N-(4-phenoxyphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine

Systemtic Name: N-(4-phenoxyphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine Openeye Name: 3-(1-benzylpyrazol-4-yl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine CAS Name: N-(4-phenoxyphenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-5-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-(1-benzylpyrazol-4-yl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine Traditional Name: [3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-phenoxyphenyl)amine Formula: C28H22N6O MolecularWeight: 458.51388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C3=C4N=C(C=CN4N=C3)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=C4N=C(C=CN4N=C3)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H22N6O/c1-3-7-21(8-4-1)19-33-20-22(17-29-33)26-18-30-34-16-15-27(32-28(26)34)31-23-11-13-25(14-12-23)35-24-9-5-2-6-10-24/h1-18,20H,19H2,(H,31,32)