2-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2-phenyl-4-quinazolinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-phenylquinazolin-4-yl)piperazino]sulfonylbenzonitrile Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H21N5O2S/c26-18-20-10-4-7-13-23(20)33(31,32)30-16-14-29(15-17-30)25-21-11-5-6-12-22(21)27-24(28-25)19-8-2-1-3-9-19/h1-13H,14-17H2