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

Systemtic Name: 2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline Openeye Name: 2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline CAS Name: 2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)-1-piperazinyl]quinazoline IUPAC Name: 2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline Traditional Name: 4-[4-(3-mesylphenyl)piperazino]-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]quinazoline Formula: C29H28N6O3S MolecularWeight: 540.63602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C3=NC4=CC=CC=C4C(=N3)N5CCN(CC5)C6=CC(=CC=C6)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C3=NC4=CC=CC=C4C(=N3)N5CCN(CC5)C6=CC(=CC=C6)S(=O)(=O)C

InChI

InChI=1S/C29H28N6O3S/c1-38-22-12-10-20(11-13-22)27-25(19-30-33-27)28-31-26-9-4-3-8-24(26)29(32-28)35-16-14-34(15-17-35)21-6-5-7-23(18-21)39(2,36)37/h3-13,18-19H,14-17H2,1-2H3,(H,30,33)