3-[3-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[[2-[(3-chlorophenyl)methyl]-3-pyrazolyl]amino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[[2-(3-chlorobenzyl)pyrazol-3-yl]amino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C21H17ClN5O3- MolecularWeight: 422.84438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl)[O-]

InChI

InChI=1S/C21H18ClN5O3/c22-15-5-3-4-14(12-15)13-27-18(8-10-23-27)24-19(28)9-11-26-21(30)17-7-2-1-6-16(17)20(29)25-26/h1-8,10,12H,9,11,13H2,(H,24,28)(H,25,29)/p-1