2-[4-oxidanylidene-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[4-[(E)-cinnamyl]piperazino]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C24H25N5O/c25-12-14-29-23(26-22-11-5-4-10-21(22)24(29)30)19-28-17-15-27(16-18-28)13-6-9-20-7-2-1-3-8-20/h1-11H,13-19H2/b9-6+