butyl 4-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

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