[2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-[cyclohexyl(ethyl)amino]-2-keto-ethyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCN(C1CCCCC1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-2-27(18-11-5-3-6-12-18)22(29)17-32-25(31)23-20-15-9-10-16-21(20)24(30)28(26-23)19-13-7-4-8-14-19/h4,7-10,13-16,18H,2-3,5-6,11-12,17H2,1H3