2-[4-oxidanylidene-3-(phenylmethyl)-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-benzyl-4-oxo-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-(phenylmethyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-benzyl-4-oxo-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-benzyl-4-keto-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC#N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC#N)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N5O2S/c29-13-18-36-28-30-25-19-22(11-12-24(25)27(35)33(28)20-21-7-3-1-4-8-21)26(34)32-16-14-31(15-17-32)23-9-5-2-6-10-23/h1-12,19H,14-18,20H2