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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OCCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OCCC

InChI

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