2-[2-(azepan-1-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-(azepan-1-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-(azepan-1-ylmethyl)-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-(1-azepanylmethyl)-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-(azepan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-(azepan-1-ylmethyl)-4-keto-quinazolin-3-yl]acetonitrile Formula: C17H20N4O MolecularWeight: 296.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1CCCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C17H20N4O/c18-9-12-21-16(13-20-10-5-1-2-6-11-20)19-15-8-4-3-7-14(15)17(21)22/h3-4,7-8H,1-2,5-6,10-13H2