tert-butyl 3-[[[5-azanyl-4-(pyridin-3-ylamino)-1H-pyrazol-3-yl]carbamoyl-ethyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[[5-azanyl-4-(pyridin-3-ylamino)-1H-pyrazol-3-yl]carbamoyl-ethyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[[5-amino-4-(3-pyridylamino)-1H-pyrazol-3-yl]carbamoyl-ethyl-amino]methyl]piperidine-1-carboxylate CAS Name: 3-[[[[[5-amino-4-(3-pyridinylamino)-1H-pyrazol-3-yl]amino]-oxomethyl]-ethylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[[5-amino-4-(pyridin-3-ylamino)-1H-pyrazol-3-yl]carbamoyl-ethylamino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[[5-amino-4-(3-pyridylamino)-1H-pyrazol-3-yl]carbamoyl-ethyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H34N8O3 MolecularWeight: 458.55716

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCCN(C1)C(=O)OC(C)(C)C)C(=O)NC2=NNC(=C2NC3=CN=CC=C3)N

Isomeric SMILES

CCN(CC1CCCN(C1)C(=O)OC(C)(C)C)C(=O)NC2=NNC(=C2NC3=CN=CC=C3)N

InChI

InChI=1S/C22H34N8O3/c1-5-29(13-15-8-7-11-30(14-15)21(32)33-22(2,3)4)20(31)26-19-17(18(23)27-28-19)25-16-9-6-10-24-12-16/h6,9-10,12,15,25H,5,7-8,11,13-14H2,1-4H3,(H4,23,26,27,28,31)