4-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperidin-4-ol dihydrochloride

Systemtic Name: 4-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperidin-4-ol dihydrochloride Openeye Name: 4-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperidin-4-ol dihydrochloride CAS Name: 4-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-4-quinazolinyl]-4-piperidinol dihydrochloride IUPAC Name: 4-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperidin-4-ol dihydrochloride Traditional Name: 4-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperidin-4-ol dihydrochloride Formula: C22H22Cl3N5O MolecularWeight: 478.80198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5.Cl.Cl

InChI

InChI=1S/C22H20ClN5O.2ClH/c23-18-4-2-17(3-5-18)22(29)7-9-28(10-8-22)21-19-11-15(16-12-26-27-13-16)1-6-20(19)24-14-25-21;;/h1-6,11-14,29H,7-10H2,(H,26,27);2*1H