methyl 2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenyl-propanoate CAS Name: 2-[[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenylpropanoate Traditional Name: 2-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H25N5O4/c1-31-21(29)18(14-15-8-3-2-4-9-15)25-22(30)24-13-7-12-23-19-16-10-5-6-11-17(16)20(28)27-26-19/h2-6,8-11,18H,7,12-14H2,1H3,(H,23,26)(H,27,28)(H2,24,25,30)