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

Systemtic Name: tert-butyl 2-[[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[3-[(4-keto-3H-phthalazin-1-yl)amino]propylamino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CNCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1CNCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H31N5O3/c1-21(2,3)29-20(28)26-13-6-8-15(26)14-22-11-7-12-23-18-16-9-4-5-10-17(16)19(27)25-24-18/h4-5,9-10,15,22H,6-8,11-14H2,1-3H3,(H,23,24)(H,25,27)