2-[4-oxidanylidene-3-(phenylmethyl)-7-piperidin-1-ylcarbonyl-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)-7-piperidin-1-ylcarbonyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-benzyl-4-oxo-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-7-[oxo(1-piperidinyl)methyl]-3-(phenylmethyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-benzyl-4-oxo-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-benzyl-4-keto-7-(piperidine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c24-11-14-30-23-25-20-15-18(21(28)26-12-5-2-6-13-26)9-10-19(20)22(29)27(23)16-17-7-3-1-4-8-17/h1,3-4,7-10,15H,2,5-6,12-14,16H2