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

Systemtic Name: methyl 3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]benzoate CAS Name: 3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 3-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-3-4-7-13-25-21(27)18-12-6-5-11-17(18)19(24-25)20(26)23-16-10-8-9-15(14-16)22(28)29-2/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,23,26)