4-[3-[4-[2,4-bis(bromanyl)phenyl]phenyl]butylamino]-2H-phthalazin-1-one

Systemtic Name: 4-[3-[4-[2,4-bis(bromanyl)phenyl]phenyl]butylamino]-2H-phthalazin-1-one Openeye Name: 4-[3-[4-(2,4-dibromophenyl)phenyl]butylamino]-2H-phthalazin-1-one CAS Name: 4-[3-[4-(2,4-dibromophenyl)phenyl]butylamino]-2H-phthalazin-1-one IUPAC Name: 4-[3-[4-(2,4-dibromophenyl)phenyl]butylamino]-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(2,4-dibromophenyl)phenyl]butylamino]-2H-phthalazin-1-one Formula: C24H21Br2N3O MolecularWeight: 527.25104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=NNC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)C4=C(C=C(C=C4)Br)Br

Isomeric SMILES

CC(CCNC1=NNC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)C4=C(C=C(C=C4)Br)Br

InChI

InChI=1S/C24H21Br2N3O/c1-15(12-13-27-23-20-4-2-3-5-21(20)24(30)29-28-23)16-6-8-17(9-7-16)19-11-10-18(25)14-22(19)26/h2-11,14-15H,12-13H2,1H3,(H,27,28)(H,29,30)