tert-butyl 4-[3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[2-(4-pyridyl)quinazolin-4-yl]amino]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[(2-pyridin-4-yl-4-quinazolinyl)amino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[2-(4-pyridyl)quinazolin-4-yl]amino]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C25H32N6O2/c1-25(2,3)33-24(32)31-17-15-30(16-18-31)14-6-11-27-23-20-7-4-5-8-21(20)28-22(29-23)19-9-12-26-13-10-19/h4-5,7-10,12-13H,6,11,14-18H2,1-3H3,(H,27,28,29)