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

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H23N3O4/c27-20(26(16-9-3-1-4-10-16)17-11-5-2-6-12-17)15-30-23(29)21-18-13-7-8-14-19(18)22(28)25-24-21/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,25,28)