tert-butyl 1-(2-azanyl-3-pyridin-4-yl-propanoyl)-4-pyridin-4-yl-piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-(2-azanyl-3-pyridin-4-yl-propanoyl)-4-pyridin-4-yl-piperazine-2-carboxylate Openeye Name: tert-butyl 1-[2-amino-3-(4-pyridyl)propanoyl]-4-(4-pyridyl)piperazine-2-carboxylate CAS Name: 1-(2-amino-1-oxo-3-pyridin-4-ylpropyl)-4-pyridin-4-yl-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-amino-3-pyridin-4-ylpropanoyl)-4-pyridin-4-ylpiperazine-2-carboxylate Traditional Name: 1-[2-amino-3-(4-pyridyl)propanoyl]-4-(4-pyridyl)piperazine-2-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)C1CN(CCN1C(=O)C(CC2=CC=NC=C2)N)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CCN1C(=O)C(CC2=CC=NC=C2)N)C3=CC=NC=C3

InChI

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