methyl 4-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[1-(4-pyridylmethyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[oxo-[1-(pyridin-4-ylmethyl)-4-piperidinyl]methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[1-(4-pyridylmethyl)isonipecotoyl]piperazino]methyl]benzoic acid methyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H32N4O3/c1-32-25(31)23-4-2-20(3-5-23)18-28-14-16-29(17-15-28)24(30)22-8-12-27(13-9-22)19-21-6-10-26-11-7-21/h2-7,10-11,22H,8-9,12-19H2,1H3