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

Systemtic Name: methyl 4-chloranyl-3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 3-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-4-chloro-benzoic acid methyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c1-3-4-7-12-26-21(28)16-9-6-5-8-15(16)19(25-26)20(27)24-18-13-14(22(29)30-2)10-11-17(18)23/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,24,27)