methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-[2-(3-methyl-1-pyrazolyl)ethyl]-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[2-(3-methylpyrazol-1-yl)ethyl]-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-4-20(27)26(19-8-6-5-7-9-19)22(21(28)29-3)11-14-24(15-12-22)16-17-25-13-10-18(2)23-25/h5-10,13H,4,11-12,14-17H2,1-3H3