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

Systemtic Name: 4-[[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]methyl]benzoate Openeye Name: 4-[[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[(3-butyl-4-oxophthalazine-1-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]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)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-2-3-12-24-20(26)17-7-5-4-6-16(17)18(23-24)19(25)22-13-14-8-10-15(11-9-14)21(27)28/h4-11H,2-3,12-13H2,1H3,(H,22,25)(H,27,28)/p-1