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

Systemtic Name: 3-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-4-methyl-benzoate Openeye Name: 3-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-4-methyl-benzoate CAS Name: 3-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-4-methylbenzoate IUPAC Name: 3-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-4-methylbenzoate Traditional Name: 3-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-4-methyl-benzoate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)[O-])C

InChI

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