methyl 4-[[4-oxidanylidene-6-(pyridin-3-ylcarbamoylamino)-3H-phthalazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-6-(pyridin-3-ylcarbamoylamino)-3H-phthalazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-6-(3-pyridylcarbamoylamino)-3H-phthalazin-1-yl]methyl]benzoate CAS Name: 4-[[4-oxo-6-[[oxo-(3-pyridinylamino)methyl]amino]-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-6-(pyridin-3-ylcarbamoylamino)-3H-phthalazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-keto-6-(3-pyridylcarbamoylamino)-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C3=C2C=CC(=C3)NC(=O)NC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C3=C2C=CC(=C3)NC(=O)NC4=CN=CC=C4

InChI

InChI=1S/C23H19N5O4/c1-32-22(30)15-6-4-14(5-7-15)11-20-18-9-8-16(12-19(18)21(29)28-27-20)25-23(31)26-17-3-2-10-24-13-17/h2-10,12-13H,11H2,1H3,(H,28,29)(H2,25,26,31)