[2-[cyclohexyl(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[cyclohexyl(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[cyclohexyl(isopropyl)amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[cyclohexyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1CCCCC1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)N(C1CCCCC1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H25N3O4/c1-13(2)23(14-8-4-3-5-9-14)17(24)12-27-20(26)18-15-10-6-7-11-16(15)19(25)22-21-18/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,22,25)