tert-butyl 2,2-dimethyl-4-[[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]methyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl 2,2-dimethyl-4-[[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]methyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl 2,2-dimethyl-4-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]oxazolidine-3-carboxylate CAS Name: 2,2-dimethyl-4-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,2-dimethyl-4-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]-1,3-oxazolidine-3-carboxylate Traditional Name: 4-[[3-[(4-keto-3H-phthalazin-1-yl)amino]propylamino]methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(CO1)CNCCCNC2=NNC(=O)C3=CC=CC=C32)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(N(C(CO1)CNCCCNC2=NNC(=O)C3=CC=CC=C32)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H33N5O4/c1-21(2,3)31-20(29)27-15(14-30-22(27,4)5)13-23-11-8-12-24-18-16-9-6-7-10-17(16)19(28)26-25-18/h6-7,9-10,15,23H,8,11-14H2,1-5H3,(H,24,25)(H,26,28)