[2-(oxidanylidenemethylidene)piperidin-1-yl] 2-[(4-pyridin-4-ylpiperazin-1-yl)amino]ethanoate

Systemtic Name: [2-(oxidanylidenemethylidene)piperidin-1-yl] 2-[(4-pyridin-4-ylpiperazin-1-yl)amino]ethanoate Openeye Name: [2-(oxomethylene)-1-piperidyl] 2-[[4-(4-pyridyl)piperazin-1-yl]amino]acetate CAS Name: 2-[(4-pyridin-4-yl-1-piperazinyl)amino]acetic acid [2-(oxomethylidene)-1-piperidinyl] ester IUPAC Name: [2-(oxomethylidene)piperidin-1-yl] 2-[(4-pyridin-4-ylpiperazin-1-yl)amino]acetate Traditional Name: 2-[[4-(4-pyridyl)piperazino]amino]acetic acid [2-(ketomethylene)piperidino] ester Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=C=O)C1)OC(=O)CNN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

C1CCN(C(=C=O)C1)OC(=O)CNN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C17H23N5O3/c23-14-16-3-1-2-8-22(16)25-17(24)13-19-21-11-9-20(10-12-21)15-4-6-18-7-5-15/h4-7,19H,1-3,8-13H2