2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[(4-nitrophenyl)methyl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[(4-nitrophenyl)methyl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]-N-[(4-nitrophenyl)methyl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]-N-[(4-nitrophenyl)methyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[(4-nitrophenyl)methyl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]-N-(4-nitrobenzyl)acetamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CCN(C(C1)CC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C21H23N7O3/c29-20(24-14-16-4-6-17(7-5-16)28(30)31)13-18-3-1-2-11-27(18)19-8-9-23-21(25-19)26-12-10-22-15-26/h4-10,12,15,18H,1-3,11,13-14H2,(H,24,29)