N-(3-chloranyl-4-pyridin-4-yl-phenyl)-6-fluoranyl-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1-benzofuran-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-pyridin-4-yl-phenyl)-6-fluoranyl-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1-benzofuran-3-carboxamide Openeye Name: N-[3-chloro-4-(4-pyridyl)phenyl]-6-fluoro-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzofuran-3-carboxamide CAS Name: N-(3-chloro-4-pyridin-4-ylphenyl)-6-fluoro-5-[(3S,5R)-3,4,5-trimethyl-1-piperazinyl]-3-benzofurancarboxamide IUPAC Name: N-(3-chloro-4-pyridin-4-ylphenyl)-6-fluoro-5-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1-benzofuran-3-carboxamide Traditional Name: N-[3-chloro-4-(4-pyridyl)phenyl]-6-fluoro-5-[(3S,5R)-3,4,5-trimethylpiperazino]benzofuran-3-carboxamide Formula: C27H26ClFN4O2 MolecularWeight: 492.972343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C)C)C2=C(C=C3C(=C2)C(=CO3)C(=O)NC4=CC(=C(C=C4)C5=CC=NC=C5)Cl)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C)C)C2=C(C=C3C(=C2)C(=CO3)C(=O)NC4=CC(=C(C=C4)C5=CC=NC=C5)Cl)F

InChI

InChI=1S/C27H26ClFN4O2/c1-16-13-33(14-17(2)32(16)3)25-11-21-22(15-35-26(21)12-24(25)29)27(34)31-19-4-5-20(23(28)10-19)18-6-8-30-9-7-18/h4-12,15-17H,13-14H2,1-3H3,(H,31,34)/t16-,17+