5-bromanyl-N-[(E)-[2-[4-(2-fluorophenyl)piperazin-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-(2-fluorophenyl)piperazin-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-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(E)-[2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(E)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(E)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]nicotinamide Formula: C26H25BrFN5O3 MolecularWeight: 554.410803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C26H25BrFN5O3/c1-16-23-20(30-31-25(34)17-13-18(27)15-29-14-17)6-4-8-22(23)36-24(16)26(35)33-11-9-32(10-12-33)21-7-3-2-5-19(21)28/h2-3,5,7,13-15H,4,6,8-12H2,1H3,(H,31,34)/b30-20+