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

Systemtic Name: methyl 4-[[4-oxidanylidene-6-(propanoylamino)-3H-phthalazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-6-(propanoylamino)-3H-phthalazin-1-yl]methyl]benzoate CAS Name: 4-[[4-oxo-6-(1-oxopropylamino)-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-6-(propanoylamino)-3H-phthalazin-1-yl]methyl]benzoate Traditional Name: 4-[(4-keto-6-propionamido-3H-phthalazin-1-yl)methyl]benzoic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)C(=NNC2=O)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)C(=NNC2=O)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4/c1-3-18(24)21-14-8-9-15-16(11-14)19(25)23-22-17(15)10-12-4-6-13(7-5-12)20(26)27-2/h4-9,11H,3,10H2,1-2H3,(H,21,24)(H,23,25)