7-[4,5-bis(bromanyl)-3-pyridin-4-yl-pyrazol-1-yl]-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one

Systemtic Name: 7-[4,5-bis(bromanyl)-3-pyridin-4-yl-pyrazol-1-yl]-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 7-[4,5-dibromo-3-(4-pyridyl)pyrazol-1-yl]-1-isopropyl-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 7-(4,5-dibromo-3-pyridin-4-yl-1-pyrazolyl)-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 7-(4,5-dibromo-3-pyridin-4-ylpyrazol-1-yl)-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 7-[4,5-dibromo-3-(4-pyridyl)pyrazol-1-yl]-1-isopropyl-4,5-dihydro-3H-1-benzazepin-2-one Formula: C21H20Br2N4O MolecularWeight: 504.2177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CCCC2=C1C=CC(=C2)N3C(=C(C(=N3)C4=CC=NC=C4)Br)Br

Isomeric SMILES

CC(C)N1C(=O)CCCC2=C1C=CC(=C2)N3C(=C(C(=N3)C4=CC=NC=C4)Br)Br

InChI

InChI=1S/C21H20Br2N4O/c1-13(2)26-17-7-6-16(12-15(17)4-3-5-18(26)28)27-21(23)19(22)20(25-27)14-8-10-24-11-9-14/h6-13H,3-5H2,1-2H3