3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-bromanyl-quinazolin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-bromanyl-quinazolin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-6-bromo-quinazolin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-bromo-4-quinazolinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6-bromo-quinazolin-4-one Formula: C16H18BrN3O2 MolecularWeight: 364.23702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C16H18BrN3O2/c17-12-5-6-14-13(9-12)16(22)20(11-18-14)10-15(21)19-7-3-1-2-4-8-19/h5-6,9,11H,1-4,7-8,10H2