methyl 4-[(2-methoxyphenyl)-propanoyl-amino]-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-[(2-methoxyphenyl)-propanoyl-amino]-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate Openeye Name: methyl 4-(2-methoxy-N-propanoyl-anilino)-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate CAS Name: 4-[2-methoxy-N-(1-oxopropyl)anilino]-1-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-methoxy-N-propanoylanilino)-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate Traditional Name: 4-(2-methoxy-N-propionyl-anilino)-1-(2-pyrazol-1-ylethyl)isonipecotic acid methyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1OC)C2(CCN(CC2)CCN3C=CC=N3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1OC)C2(CCN(CC2)CCN3C=CC=N3)C(=O)OC

InChI

InChI=1S/C22H30N4O4/c1-4-20(27)26(18-8-5-6-9-19(18)29-2)22(21(28)30-3)10-14-24(15-11-22)16-17-25-13-7-12-23-25/h5-9,12-13H,4,10-11,14-17H2,1-3H3