methyl 1-[2-(4-iodanylpyrazol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-iodanylpyrazol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-[2-(4-iodo-1-pyrazolyl)ethyl]-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C21H27IN4O3 MolecularWeight: 510.36855

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C=C(C=N3)I)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C=C(C=N3)I)C(=O)OC

InChI

InChI=1S/C21H27IN4O3/c1-3-19(27)26(18-7-5-4-6-8-18)21(20(28)29-2)9-11-24(12-10-21)13-14-25-16-17(22)15-23-25/h4-8,15-16H,3,9-14H2,1-2H3