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

Systemtic Name: methyl 4-methyl-3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-methyl-3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 3-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-4-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)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

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

InChI

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