butyl 4-[3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoylamino]benzoate

Systemtic Name: butyl 4-[3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoylamino]benzoate Openeye Name: butyl 4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1,4-dioxo-3H-phthalazin-2-yl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1,4-diketo-3H-phthalazin-2-yl)propanoylamino]benzoic acid butyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C22H23N3O5/c1-2-3-14-30-22(29)15-8-10-16(11-9-15)23-19(26)12-13-25-21(28)18-7-5-4-6-17(18)20(27)24-25/h4-11H,2-3,12-14H2,1H3,(H,23,26)(H,24,27)