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

Systemtic Name: methyl 4-chloranyl-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-3-10-24-19(26)14-7-5-4-6-13(14)17(23-24)18(25)22-16-11-12(20(27)28-2)8-9-15(16)21/h4-9,11H,3,10H2,1-2H3,(H,22,25)