dimethyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C30H31N3O5/c1-37-28(35)21-11-22(29(36)38-2)13-23(12-21)31-27(34)25-17-33(24-6-4-3-5-7-24)32-26(25)30-14-18-8-19(15-30)10-20(9-18)16-30/h3-7,11-13,17-20H,8-10,14-16H2,1-2H3,(H,31,34)