3-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-3-ylmethyl)amino]propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-3-ylmethyl)amino]propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[3-[tert-butoxycarbonyl(3-pyridylmethyl)amino]propylamino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(3-pyridinylmethyl)amino]propylamino]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-3-ylmethyl)amino]propylamino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[3-[tert-butoxycarbonyl(3-pyridylmethyl)amino]propylamino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C24H28N5O5- MolecularWeight: 466.50962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)[O-])CC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)[O-])CC3=CN=CC=C3

InChI

InChI=1S/C24H29N5O5/c1-24(2,3)34-23(33)28(15-17-8-6-11-25-14-17)13-7-12-26-20(30)16-29-22(32)19-10-5-4-9-18(19)21(31)27-29/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,26,30)(H,27,31)/p-1