2-[4-[4-(4-oxidanylidenequinazolin-3-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(4-oxidanylidenequinazolin-3-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(4-oxoquinazolin-3-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[4-(4-oxo-3-quinazolinyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(4-oxoquinazolin-3-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(4-ketoquinazolin-3-yl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H21N5O4S/c27-17-20-5-1-4-8-24(20)36(34,35)30-15-13-29(14-16-30)25(32)19-9-11-21(12-10-19)31-18-28-23-7-3-2-6-22(23)26(31)33/h1-12,18H,13-16H2