propyl 4-[4-[(2,5-dimethylphenyl)amino]phthalazin-1-yl]benzoate

Systemtic Name: propyl 4-[4-[(2,5-dimethylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-(2,5-dimethylanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(2,5-dimethylanilino)-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-(2,5-dimethylanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(2,5-dimethylanilino)phthalazin-1-yl]benzoic acid propyl ester Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H25N3O2/c1-4-15-31-26(30)20-13-11-19(12-14-20)24-21-7-5-6-8-22(21)25(29-28-24)27-23-16-17(2)9-10-18(23)3/h5-14,16H,4,15H2,1-3H3,(H,27,29)