[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3C(CCCC3C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3C(CCCC3C)C

InChI

InChI=1S/C21H27N3O4/c1-4-12-23-20(26)17-11-6-5-10-16(17)19(22-23)21(27)28-13-18(25)24-14(2)8-7-9-15(24)3/h5-6,10-11,14-15H,4,7-9,12-13H2,1-3H3