[2-[bis[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[bis[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[bis[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[bis[(1R)-1-methylpropyl]amino]-2-keto-ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC[C@@H](C)N([C@H](C)CC)C(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C19H25N3O4/c1-5-12(3)22(13(4)6-2)16(23)11-26-19(25)17-14-9-7-8-10-15(14)18(24)21-20-17/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,24)/t12-,13-/m1/s1