2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-3-(1-pyridin-3-ylcarbonylpiperidin-4-yl)propanenitrile

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-3-(1-pyridin-3-ylcarbonylpiperidin-4-yl)propanenitrile Openeye Name: 2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-oxo-3-[1-(pyridine-3-carbonyl)-4-piperidyl]propanenitrile CAS Name: 2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-oxo-3-[1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]propanenitrile IUPAC Name: 2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-oxo-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanenitrile Traditional Name: 2-(7-chloro-4-keto-1H-quinazolin-2-yl)-3-keto-3-(1-nicotinoyl-4-piperidyl)propionitrile Formula: C22H18ClN5O3 MolecularWeight: 435.86302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C(C#N)C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)C(C#N)C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H18ClN5O3/c23-15-3-4-16-18(10-15)26-20(27-21(16)30)17(11-24)19(29)13-5-8-28(9-6-13)22(31)14-2-1-7-25-12-14/h1-4,7,10,12-13,17H,5-6,8-9H2,(H,26,27,30)