[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4/c1-2-3-4-12-19-32-28(34)24-17-9-8-16-23(24)27(31-32)29(35)36-20-26(33)30-25-18-11-10-15-22(25)21-13-6-5-7-14-21/h5-11,13-18H,2-4,12,19-20H2,1H3,(H,30,33)