(3-chloranyl-4-fluoranyl-phenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-chloranyl-4-fluoranyl-phenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-chloro-4-fluoro-phenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: (3-chloro-4-fluorophenyl)-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-chloro-4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-chloro-4-fluoro-phenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C26H22ClFN4O MolecularWeight: 460.930483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C26H22ClFN4O/c27-20-17-19(11-12-21(20)28)26(33)32-14-6-13-31(15-16-32)25-24(18-7-2-1-3-8-18)29-22-9-4-5-10-23(22)30-25/h1-5,7-12,17H,6,13-16H2