2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline

Systemtic Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline Openeye Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline CAS Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)-1-piperazinyl]quinazoline IUPAC Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline Traditional Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-mesylphenyl)piperazino]quinazoline Formula: C28H25ClN6O2S MolecularWeight: 545.0551

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=C(NN=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=C(NN=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H25ClN6O2S/c1-38(36,37)22-6-4-5-21(17-22)34-13-15-35(16-14-34)28-23-7-2-3-8-25(23)31-27(32-28)24-18-30-33-26(24)19-9-11-20(29)12-10-19/h2-12,17-18H,13-16H2,1H3,(H,30,33)