3-(4-fluorophenyl)-4-[2-methyl-4-(phenylmethyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)-4H-quinazoline

Systemtic Name: 3-(4-fluorophenyl)-4-[2-methyl-4-(phenylmethyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)-4H-quinazoline Openeye Name: 4-(4-benzyl-2-methyl-piperazin-1-yl)-3-(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-4H-quinazoline CAS Name: 3-(4-fluorophenyl)-4-[2-methyl-4-(phenylmethyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)-4H-quinazoline IUPAC Name: 4-(4-benzyl-2-methylpiperazin-1-yl)-3-(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-4H-quinazoline Traditional Name: 4-(4-benzyl-2-methyl-piperazino)-3-(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-4H-quinazoline Formula: C29H29FN6 MolecularWeight: 480.579163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2C3=C(C=CC(=C3)C4=CNN=C4)N=CN2C5=CC=C(C=C5)F)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C2C3=C(C=CC(=C3)C4=CNN=C4)N=CN2C5=CC=C(C=C5)F)CC6=CC=CC=C6

InChI

InChI=1S/C29H29FN6/c1-21-18-34(19-22-5-3-2-4-6-22)13-14-35(21)29-27-15-23(24-16-32-33-17-24)7-12-28(27)31-20-36(29)26-10-8-25(30)9-11-26/h2-12,15-17,20-21,29H,13-14,18-19H2,1H3,(H,32,33)