diethyl 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]hexanedioate

Systemtic Name: diethyl 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]hexanedioate Openeye Name: diethyl 3-[1-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]-4-piperidyl]hexanedioate CAS Name: 3-[1-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-4-piperidinyl]hexanedioic acid diethyl ester IUPAC Name: diethyl 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]hexanedioate Traditional Name: 3-[1-[2-[4-(4-pyridyl)piperazino]acetyl]-4-piperidyl]adipic acid diethyl ester Formula: C26H40N4O5 MolecularWeight: 488.6196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CC(=O)OCC)C1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CCC(CC(=O)OCC)C1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C26H40N4O5/c1-3-34-25(32)6-5-22(19-26(33)35-4-2)21-9-13-30(14-10-21)24(31)20-28-15-17-29(18-16-28)23-7-11-27-12-8-23/h7-8,11-12,21-22H,3-6,9-10,13-20H2,1-2H3