1-[4-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazino]sulfonylphenyl]ethanone Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H23N5O3S/c1-18(31)19-8-10-21(11-9-19)34(32,33)30-15-13-29(14-16-30)25-22-6-2-3-7-23(22)27-24(28-25)20-5-4-12-26-17-20/h2-12,17H,13-16H2,1H3