ethyl 1-(phenylmethyl)-4-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-4-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate Openeye Name: ethyl 1-benzyl-4-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-2-carboxylate CAS Name: 4-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-1-(phenylmethyl)-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carboxylate Traditional Name: 1-benzyl-4-[1-(4-pyridyl)isonipecotoyl]piperazine-2-carboxylic acid ethyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1CN(CCN1CC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C25H32N4O3/c1-2-32-25(31)23-19-29(17-16-28(23)18-20-6-4-3-5-7-20)24(30)21-10-14-27(15-11-21)22-8-12-26-13-9-22/h3-9,12-13,21,23H,2,10-11,14-19H2,1H3