2-[4-oxidanylidene-2-(phenylmethyl)quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethyl)quinazolin-3-yl]ethanenitrile Openeye Name: 2-(2-benzyl-4-oxo-quinazolin-3-yl)acetonitrile CAS Name: 2-[4-oxo-2-(phenylmethyl)-3-quinazolinyl]acetonitrile IUPAC Name: 2-(2-benzyl-4-oxoquinazolin-3-yl)acetonitrile Traditional Name: 2-(2-benzyl-4-keto-quinazolin-3-yl)acetonitrile Formula: C17H13N3O MolecularWeight: 275.30462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C17H13N3O/c18-10-11-20-16(12-13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)17(20)21/h1-9H,11-12H2