3-(4-fluorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)-4H-quinazoline

Systemtic Name: 3-(4-fluorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)-4H-quinazoline Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-4H-quinazoline CAS Name: 3-(4-fluorophenyl)-4-[4-(phenylmethyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)-4H-quinazoline IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-4H-quinazoline Traditional Name: 4-(4-benzylpiperazino)-3-(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-4H-quinazoline Formula: C28H27FN6 MolecularWeight: 466.552583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3C4=C(C=CC(=C4)C5=CNN=C5)N=CN3C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3C4=C(C=CC(=C4)C5=CNN=C5)N=CN3C6=CC=C(C=C6)F

InChI

InChI=1S/C28H27FN6/c29-24-7-9-25(10-8-24)35-20-30-27-11-6-22(23-17-31-32-18-23)16-26(27)28(35)34-14-12-33(13-15-34)19-21-4-2-1-3-5-21/h1-11,16-18,20,28H,12-15,19H2,(H,31,32)