N-(5-bromanylpyridin-2-yl)-1-(2-pyridin-3-ylquinazolin-4-yl)piperidine-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-(2-pyridin-3-ylquinazolin-4-yl)piperidine-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-[2-(3-pyridyl)quinazolin-4-yl]piperidine-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[2-(3-pyridinyl)-4-quinazolinyl]-3-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-(2-pyridin-3-ylquinazolin-4-yl)piperidine-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-[2-(3-pyridyl)quinazolin-4-yl]nipecotamide Formula: C24H21BrN6O MolecularWeight: 489.36714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C(=O)NC5=NC=C(C=C5)Br

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C(=O)NC5=NC=C(C=C5)Br

InChI

InChI=1S/C24H21BrN6O/c25-18-9-10-21(27-14-18)29-24(32)17-6-4-12-31(15-17)23-19-7-1-2-8-20(19)28-22(30-23)16-5-3-11-26-13-16/h1-3,5,7-11,13-14,17H,4,6,12,15H2,(H,27,29,32)