2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile

Systemtic Name: 2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]propanenitrile CAS Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propanenitrile IUPAC Name: 2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: 3-keto-2-(4-keto-6-methyl-1H-quinazolin-2-yl)-3-(4-piperidinosulfonylphenyl)propionitrile Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H22N4O4S/c1-15-5-10-20-18(13-15)23(29)26-22(25-20)19(14-24)21(28)16-6-8-17(9-7-16)32(30,31)27-11-3-2-4-12-27/h5-10,13,19H,2-4,11-12H2,1H3,(H,25,26,29)