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

Systemtic Name: methyl 2-[[2-(oxidanylidenemethylidene)piperidin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)amino]ethanoate Openeye Name: methyl 2-[[2-(oxomethylene)-1-piperidyl]-[4-(4-pyridyl)piperazin-1-yl]amino]acetate CAS Name: 2-[[2-(oxomethylidene)-1-piperidinyl]-(4-pyridin-4-yl-1-piperazinyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(oxomethylidene)piperidin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)amino]acetate Traditional Name: 2-[[2-(ketomethylene)piperidino]-[4-(4-pyridyl)piperazino]amino]acetic acid methyl ester Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(N1CCN(CC1)C2=CC=NC=C2)N3CCCCC3=C=O

Isomeric SMILES

COC(=O)CN(N1CCN(CC1)C2=CC=NC=C2)N3CCCCC3=C=O

InChI

InChI=1S/C18H25N5O3/c1-26-18(25)14-23(22-9-3-2-4-17(22)15-24)21-12-10-20(11-13-21)16-5-7-19-8-6-16/h5-8H,2-4,9-14H2,1H3