ethyl 1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]isonipecotic acid ethyl ester Formula: C23H33N3O2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H33N3O2/c1-4-13-26-18-21(19(3)24-26)17-25-14-11-23(12-15-25,22(27)28-5-2)16-20-9-7-6-8-10-20/h6-10,18H,4-5,11-17H2,1-3H3