dimethyl 2-[3-phenyl-5-(phenylmethyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate

Systemtic Name: dimethyl 2-[3-phenyl-5-(phenylmethyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate Openeye Name: dimethyl 2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)cyclopropane-1,1-dicarboxylate CAS Name: 2-[3-phenyl-5-(phenylmethyl)-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)cyclopropane-1,1-dicarboxylate Traditional Name: 2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)cyclopropane-1,1-dicarboxylic acid dimethyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1C2=C(NN=C2C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC1C2=C(NN=C2C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H22N2O4/c1-28-21(26)23(22(27)29-2)14-17(23)19-18(13-15-9-5-3-6-10-15)24-25-20(19)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,24,25)