methyl 2-[4-oxidanylidene-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]methyl]phthalazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]methyl]phthalazin-1-yl]ethanoate Openeye Name: methyl 2-[4-oxo-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]methyl]phthalazin-1-yl]acetate CAS Name: 2-[4-oxo-3-[[[1-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]amino]methyl]-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]methyl]phthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[[3-[4-(2-pyrimidyl)piperazino]propanoylamino]methyl]phthalazin-1-yl]acetic acid methyl ester Formula: C23H27N7O4 MolecularWeight: 465.50498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CNC(=O)CCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CNC(=O)CCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H27N7O4/c1-34-21(32)15-19-17-5-2-3-6-18(17)22(33)30(27-19)16-26-20(31)7-10-28-11-13-29(14-12-28)23-24-8-4-9-25-23/h2-6,8-9H,7,10-16H2,1H3,(H,26,31)