2-[5-(bromomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[5-(bromomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[5-(bromomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[5-(bromomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[5-(bromomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[5-(bromomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C20H20BrN3O3 MolecularWeight: 430.2951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)N3CCC4=C(C3)C=CC=C4CBr)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)N3CCC4=C(C3)C=CC=C4CBr)OC

InChI

InChI=1S/C20H20BrN3O3/c1-26-17-8-15-16(9-18(17)27-2)22-20(23-19(15)25)24-7-6-14-12(10-21)4-3-5-13(14)11-24/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,22,23,25)