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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O4/c1-3-4-5-8-15-26-22(28)19-10-7-6-9-18(19)20(25-26)21(27)24-17-13-11-16(12-14-17)23(29)30-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,24,27)