[2-[3-(4-bromophenyl)-2-(phenylcarbonyl)-3,4-dihydropyrazol-5-yl]-5-methoxy-phenyl] benzoate

Systemtic Name: [2-[3-(4-bromophenyl)-2-(phenylcarbonyl)-3,4-dihydropyrazol-5-yl]-5-methoxy-phenyl] benzoate Openeye Name: [2-[2-benzoyl-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]-5-methoxy-phenyl] benzoate CAS Name: benzoic acid [2-[2-benzoyl-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]-5-methoxyphenyl] ester IUPAC Name: [2-[2-benzoyl-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]-5-methoxyphenyl] benzoate Traditional Name: benzoic acid [2-[1-benzoyl-5-(4-bromophenyl)-2-pyrazolin-3-yl]-5-methoxy-phenyl] ester Formula: C30H23BrN2O4 MolecularWeight: 555.41862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H23BrN2O4/c1-36-24-16-17-25(28(18-24)37-30(35)22-10-6-3-7-11-22)26-19-27(20-12-14-23(31)15-13-20)33(32-26)29(34)21-8-4-2-5-9-21/h2-18,27H,19H2,1H3