tert-butyl 4-[[(3-azanylpyrazin-2-yl)carbonylamino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-azanylpyrazin-2-yl)carbonylamino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylate CAS Name: 4-[[[(3-amino-2-pyrazinyl)-oxomethyl]amino]methyl]-4-(3-fluorophenyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylate Traditional Name: 4-[[(3-aminopyrazinoyl)amino]methyl]-4-(3-fluorophenyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28FN5O3 MolecularWeight: 429.487823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H28FN5O3/c1-21(2,3)31-20(30)28-11-7-22(8-12-28,15-5-4-6-16(23)13-15)14-27-19(29)17-18(24)26-10-9-25-17/h4-6,9-10,13H,7-8,11-12,14H2,1-3H3,(H2,24,26)(H,27,29)