methyl 2,2-dimethyl-3-(5-methylfuran-2-yl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propanoate

Systemtic Name: methyl 2,2-dimethyl-3-(5-methylfuran-2-yl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propanoate Openeye Name: methyl 2,2-dimethyl-3-(5-methyl-2-furyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoate CAS Name: 2,2-dimethyl-3-(5-methyl-2-furanyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-3-(5-methylfuran-2-yl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoate Traditional Name: 3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylamino]-2,2-dimethyl-3-(5-methyl-2-furyl)propionic acid methyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C(C)(C)C(=O)OC)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(O1)C(C(C)(C)C(=O)OC)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H28N4O4/c1-14-10-11-17(30-14)18(22(2,3)21(28)29-4)23-12-7-13-24-19-15-8-5-6-9-16(15)20(27)26-25-19/h5-6,8-11,18,23H,7,12-13H2,1-4H3,(H,24,25)(H,26,27)