1-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone

Systemtic Name: 1-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone Openeye Name: 1-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone CAS Name: 1-[4-(6,7-dimethyl-3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone IUPAC Name: 1-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone Traditional Name: 1-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone Formula: C29H29FN4O MolecularWeight: 468.565163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)C(=O)CC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)C(=O)CC5=CC=C(C=C5)F

InChI

InChI=1S/C29H29FN4O/c1-20-17-25-26(18-21(20)2)32-29(28(31-25)23-7-4-3-5-8-23)34-14-6-13-33(15-16-34)27(35)19-22-9-11-24(30)12-10-22/h3-5,7-12,17-18H,6,13-16,19H2,1-2H3