2-[4-oxidanylidene-2-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-benzoylpiperazin-1-yl)methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(4-benzoyl-1-piperazinyl)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-benzoylpiperazin-1-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(4-benzoylpiperazino)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2CC#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2CC#N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c23-10-11-27-20(24-19-9-5-4-8-18(19)22(27)29)16-25-12-14-26(15-13-25)21(28)17-6-2-1-3-7-17/h1-9H,11-16H2