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

Systemtic Name: methyl 4-methyl-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-methyl-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 3-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]-4-methyl-benzoic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-4-11-24-20(26)16-8-6-5-7-15(16)18(23-24)19(25)22-17-12-14(21(27)28-3)10-9-13(17)2/h5-10,12H,4,11H2,1-3H3,(H,22,25)