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

Systemtic Name: butyl 4-[2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,4-dioxo-3H-phthalazin-2-yl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1,4-diketo-3H-phthalazin-2-yl)acetyl]amino]benzoic acid butyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H21N3O5/c1-2-3-12-29-21(28)14-8-10-15(11-9-14)22-18(25)13-24-20(27)17-7-5-4-6-16(17)19(26)23-24/h4-11H,2-3,12-13H2,1H3,(H,22,25)(H,23,26)