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

Systemtic Name: methyl 4-[[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-butyl-4-oxophthalazine-1-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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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)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-3-4-13-25-21(27)18-8-6-5-7-17(18)19(24-25)20(26)23-14-15-9-11-16(12-10-15)22(28)29-2/h5-12H,3-4,13-14H2,1-2H3,(H,23,26)