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

Systemtic Name: 5-bromanyl-N-[(E)-[3-methyl-2-(4-phenylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(E)-[3-methyl-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]nicotinamide Formula: C26H26BrN5O3 MolecularWeight: 536.42034

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN5O3/c1-17-23-21(29-30-25(33)18-14-19(27)16-28-15-18)8-5-9-22(23)35-24(17)26(34)32-12-10-31(11-13-32)20-6-3-2-4-7-20/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,30,33)/b29-21+