[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(2-methyl-1-piperidyl)-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(2-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-keto-2-(2-methylpiperidino)ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3CCCCC3C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3CCCCC3C

InChI

InChI=1S/C20H25N3O4/c1-3-11-23-19(25)16-10-5-4-9-15(16)18(21-23)20(26)27-13-17(24)22-12-7-6-8-14(22)2/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3