[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(CC(C)C)CC(C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(CC(C)C)CC(C)C

InChI

InChI=1S/C21H29N3O4/c1-6-24-20(26)17-10-8-7-9-16(17)19(22-24)21(27)28-13-18(25)23(11-14(2)3)12-15(4)5/h7-10,14-15H,6,11-13H2,1-5H3