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

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C29H27N3O5/c1-2-3-5-14-26(34)30-21-17-15-20(16-18-21)25(33)19-37-29(36)27-23-12-8-9-13-24(23)28(35)32(31-27)22-10-6-4-7-11-22/h4,6-13,15-18H,2-3,5,14,19H2,1H3,(H,30,34)