methyl 3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoate Openeye Name: methyl 3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoate CAS Name: 3-[[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoate Traditional Name: 3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoic acid methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H21N5O4/c1-29-19(27)13-6-4-7-14(12-13)23-20(28)22-11-5-10-21-17-15-8-2-3-9-16(15)18(26)25-24-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,24)(H,25,26)(H2,22,23,28)