4-(6-anthracen-9-ylhexylamino)-2H-phthalazin-1-one

Systemtic Name: 4-(6-anthracen-9-ylhexylamino)-2H-phthalazin-1-one Openeye Name: 4-[6-(9-anthryl)hexylamino]-2H-phthalazin-1-one CAS Name: 4-[6-(9-anthracenyl)hexylamino]-2H-phthalazin-1-one IUPAC Name: 4-(6-anthracen-9-ylhexylamino)-2H-phthalazin-1-one Traditional Name: 4-[6-(9-anthryl)hexylamino]-2H-phthalazin-1-one Formula: C28H27N3O MolecularWeight: 421.53348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCCCCCNC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCCCCCNC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C28H27N3O/c32-28-26-17-9-8-16-25(26)27(30-31-28)29-18-10-2-1-3-15-24-22-13-6-4-11-20(22)19-21-12-5-7-14-23(21)24/h4-9,11-14,16-17,19H,1-3,10,15,18H2,(H,29,30)(H,31,32)