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

Systemtic Name: methyl 2,2-dimethyl-3-(5-methyl-1H-imidazol-4-yl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propanoate Openeye Name: methyl 2,2-dimethyl-3-(5-methyl-1H-imidazol-4-yl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoate CAS Name: 2,2-dimethyl-3-(5-methyl-1H-imidazol-4-yl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-3-(5-methyl-1H-imidazol-4-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-1H-imidazol-4-yl)propionic acid methyl ester Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C(C(C)(C)C(=O)OC)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(N=CN1)C(C(C)(C)C(=O)OC)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H28N6O3/c1-13-16(25-12-24-13)17(21(2,3)20(29)30-4)22-10-7-11-23-18-14-8-5-6-9-15(14)19(28)27-26-18/h5-6,8-9,12,17,22H,7,10-11H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)