3-[2-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[[2-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[[2-(4-chlorobenzyl)pyrazol-3-yl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C21H17ClN6O3 MolecularWeight: 436.85108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C21H17ClN6O3/c22-14-7-5-13(6-8-14)11-27-17(9-10-24-27)25-18(29)12-28-21(31)16-4-2-1-3-15(16)19(26-28)20(23)30/h1-10H,11-12H2,(H2,23,30)(H,25,29)