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

Systemtic Name: 4-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazino]sulfonylbenzonitrile Formula: C24H20N6O2S MolecularWeight: 456.5196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H20N6O2S/c25-16-18-7-9-20(10-8-18)33(31,32)30-14-12-29(13-15-30)24-21-5-1-2-6-22(21)27-23(28-24)19-4-3-11-26-17-19/h1-11,17H,12-15H2