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

Systemtic Name: tert-butyl 4-[[(3-azanylpyrazin-2-yl)carbonylamino]methyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[[(3-amino-2-pyrazinyl)-oxomethyl]amino]methyl]-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[[(3-aminopyrazinoyl)amino]methyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-21(2,3)30-20(29)27-13-9-22(10-14-27,16-7-5-4-6-8-16)15-26-19(28)17-18(23)25-12-11-24-17/h4-8,11-12H,9-10,13-15H2,1-3H3,(H2,23,25)(H,26,28)