2-[[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(7-chloro-4-quinolyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(7-chloro-4-quinolyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C22H20ClN5O MolecularWeight: 405.8801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C22H20ClN5O/c23-15-5-6-16-19(13-15)24-8-7-20(16)28-11-9-27(10-12-28)14-21-25-18-4-2-1-3-17(18)22(29)26-21/h1-8,13H,9-12,14H2,(H,25,26,29)