4-[4-(azepan-1-yl)-3-bromanyl-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(azepan-1-yl)-3-bromanyl-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(azepan-1-yl)-3-bromo-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(1-azepanyl)-3-bromophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(azepan-1-yl)-3-bromophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(azepan-1-yl)-3-bromo-phenyl]-2H-phthalazin-1-one Formula: C20H20BrN3O MolecularWeight: 398.2963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)Br

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)Br

InChI

InChI=1S/C20H20BrN3O/c21-17-13-14(9-10-18(17)24-11-5-1-2-6-12-24)19-15-7-3-4-8-16(15)20(25)23-22-19/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,23,25)