5-bromanyl-N-[(E)-[2-(4-ethylpiperazin-1-yl)carbonyl-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(E)-[2-(4-ethylpiperazin-1-yl)carbonyl-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(E)-[2-(4-ethylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(E)-[2-[(4-ethyl-1-piperazinyl)-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(E)-[2-(4-ethylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(E)-[2-(4-ethylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]nicotinamide Formula: C22H26BrN5O3 MolecularWeight: 488.37754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=CC(=CN=C4)Br)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=CC(=CN=C4)Br)C

InChI

InChI=1S/C22H26BrN5O3/c1-3-27-7-9-28(10-8-27)22(30)20-14(2)19-17(5-4-6-18(19)31-20)25-26-21(29)15-11-16(23)13-24-12-15/h11-13H,3-10H2,1-2H3,(H,26,29)/b25-17+