[4-(2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl] 4-chloranylbenzoate

Systemtic Name: [4-(2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl] 4-chloranylbenzoate Openeye Name: [4-(2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-(2-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-(2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl] ester Formula: C26H18ClN3O2 MolecularWeight: 439.89302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC=NC2=C1C3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NN2C(=CC=NC2=C1C3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H18ClN3O2/c1-17-24(19-5-3-2-4-6-19)25-28-16-15-23(30(25)29-17)18-9-13-22(14-10-18)32-26(31)20-7-11-21(27)12-8-20/h2-16H,1H3