ethyl 4-[(2-chlorophenyl)methyl]-1-[2-(4-ethylpiperazin-1-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[2-(4-ethylpiperazin-1-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidine-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidine-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-[2-(4-ethylpiperazino)acetyl]isonipecotic acid ethyl ester Formula: C23H34ClN3O3 MolecularWeight: 435.98736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)N2CCC(CC2)(CC3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC(=O)N2CCC(CC2)(CC3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C23H34ClN3O3/c1-3-25-13-15-26(16-14-25)18-21(28)27-11-9-23(10-12-27,22(29)30-4-2)17-19-7-5-6-8-20(19)24/h5-8H,3-4,9-18H2,1-2H3