4-[[(3-azanylpyrazin-2-yl)carbonylamino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylic acid

Systemtic Name: 4-[[(3-azanylpyrazin-2-yl)carbonylamino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylic acid Openeye Name: 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylic acid CAS Name: 4-[[[(3-amino-2-pyrazinyl)-oxomethyl]amino]methyl]-4-(3-fluorophenyl)-1-piperidinecarboxylic acid IUPAC Name: 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylic acid Traditional Name: 4-[[(3-aminopyrazinoyl)amino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylic acid Formula: C18H20FN5O3 MolecularWeight: 373.381503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F)C(=O)O

InChI

InChI=1S/C18H20FN5O3/c19-13-3-1-2-12(10-13)18(4-8-24(9-5-18)17(26)27)11-23-16(25)14-15(20)22-7-6-21-14/h1-3,6-7,10H,4-5,8-9,11H2,(H2,20,22)(H,23,25)(H,26,27)