N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (4-butylphenyl)-[3-(4-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]amine Formula: C28H25ClN4 MolecularWeight: 452.9779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=CC(=NC3=C(C=NN23)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=CC(=NC3=C(C=NN23)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4/c1-2-3-7-20-10-16-24(17-11-20)31-27-18-26(22-8-5-4-6-9-22)32-28-25(19-30-33(27)28)21-12-14-23(29)15-13-21/h4-6,8-19,31H,2-3,7H2,1H3