1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-N-[2-(2-fluorophenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-N-[2-(2-fluorophenyl)ethyl]isonipecotamide Formula: C21H25FN6O3 MolecularWeight: 428.460003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCC(CC3)C(=O)NCCC4=CC=CC=C4F

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCC(CC3)C(=O)NCCC4=CC=CC=C4F

InChI

InChI=1S/C21H25FN6O3/c22-17-4-2-1-3-14(17)7-10-23-20(29)15-8-11-27(12-9-15)21-24-13-18(28(30)31)19(26-21)25-16-5-6-16/h1-4,13,15-16H,5-12H2,(H,23,29)(H,24,25,26)