methyl 4-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O4/c1-3-4-7-14-26-22(28)19-9-6-5-8-18(19)20(25-26)21(27)24-15-16-10-12-17(13-11-16)23(29)30-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,24,27)