methyl 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzoate CAS Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]benzoic acid methyl ester Formula: C25H17ClN4O2 MolecularWeight: 440.88108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)C4=CC(=NN4)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)C4=CC(=NN4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H17ClN4O2/c1-32-25(31)16-11-9-15(10-12-16)23-19-7-2-3-8-20(19)24(30-29-23)22-14-21(27-28-22)17-5-4-6-18(26)13-17/h2-14H,1H3,(H,27,28)