4-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanoyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanoyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]acetyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]-1-oxoethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]acetyl]piperazine-1-carboxylic acid Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)N2CCN(CC2)C(=O)O)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CCN(C(C1)CC(=O)N2CCN(CC2)C(=O)O)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C19H25N7O3/c27-17(23-9-11-24(12-10-23)19(28)29)13-15-3-1-2-7-26(15)16-4-5-21-18(22-16)25-8-6-20-14-25/h4-6,8,14-15H,1-3,7,9-13H2,(H,28,29)