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

Systemtic Name: 2-[4-oxidanylidene-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-oxo-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-phenethyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-oxo-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C29H27N5O2S MolecularWeight: 509.62198

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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)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC#N)CCC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O2S/c30-14-20-37-29-31-26-21-23(27(35)33-18-16-32(17-19-33)24-9-5-2-6-10-24)11-12-25(26)28(36)34(29)15-13-22-7-3-1-4-8-22/h1-12,21H,13,15-20H2