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

Systemtic Name: propyl 4-[3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-2-13-29-21(28)14-7-9-15(10-8-14)22-18(25)11-12-24-20(27)17-6-4-3-5-16(17)19(26)23-24/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,26)