[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3CCCCCCC3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C22H29N3O4/c1-15(2)25-21(27)18-13-9-8-12-17(18)20(24-25)22(28)29-14-19(26)23-16-10-6-4-3-5-7-11-16/h8-9,12-13,15-16H,3-7,10-11,14H2,1-2H3,(H,23,26)