2-(4-fluorophenyl)-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-fluorophenyl)-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-fluorophenyl)-1-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-fluorophenyl)-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-fluorophenyl)-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]ethanone Formula: C27H25FN4O MolecularWeight: 440.512003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C27H25FN4O/c28-22-13-11-20(12-14-22)19-25(33)31-15-6-16-32(18-17-31)27-26(21-7-2-1-3-8-21)29-23-9-4-5-10-24(23)30-27/h1-5,7-14H,6,15-19H2