4-[3-[2-[2-(4-tert-butylphenoxy)-5-nitro-phenyl]-4-oxidanylidene-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one

Systemtic Name: 4-[3-[2-[2-(4-tert-butylphenoxy)-5-nitro-phenyl]-4-oxidanylidene-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one Openeye Name: 4-[3-[2-[2-(4-tert-butylphenoxy)-5-nitro-phenyl]-4-oxo-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one CAS Name: 4-[3-[2-[2-(4-tert-butylphenoxy)-5-nitrophenyl]-4-oxo-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one IUPAC Name: 4-[3-[2-[2-(4-tert-butylphenoxy)-5-nitrophenyl]-4-oxo-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one Traditional Name: 4-[3-[2-[2-(4-tert-butylphenoxy)-5-nitro-phenyl]-4-keto-2,3-dihydropyridin-1-yl]propylamino]-2H-phthalazin-1-one Formula: C32H33N5O5 MolecularWeight: 567.63492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C3CC(=O)C=CN3CCCNC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C3CC(=O)C=CN3CCCNC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C32H33N5O5/c1-32(2,3)21-9-12-24(13-10-21)42-29-14-11-22(37(40)41)19-27(29)28-20-23(38)15-18-36(28)17-6-16-33-30-25-7-4-5-8-26(25)31(39)35-34-30/h4-5,7-15,18-19,28H,6,16-17,20H2,1-3H3,(H,33,34)(H,35,39)