methyl 4-(3-iodanyl-5-phenyl-1-phenylmethoxy-pyrazol-4-yl)piperidine-1-carboxylate

Systemtic Name: methyl 4-(3-iodanyl-5-phenyl-1-phenylmethoxy-pyrazol-4-yl)piperidine-1-carboxylate Openeye Name: methyl 4-(1-benzyloxy-3-iodo-5-phenyl-pyrazol-4-yl)piperidine-1-carboxylate CAS Name: 4-(3-iodo-5-phenyl-1-phenylmethoxy-4-pyrazolyl)-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-iodo-5-phenyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate Traditional Name: 4-(1-benzoxy-3-iodo-5-phenyl-pyrazol-4-yl)piperidine-1-carboxylic acid methyl ester Formula: C23H24IN3O3 MolecularWeight: 517.35943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)C2=C(N(N=C2I)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCC(CC1)C2=C(N(N=C2I)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24IN3O3/c1-29-23(28)26-14-12-18(13-15-26)20-21(19-10-6-3-7-11-19)27(25-22(20)24)30-16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3