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

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-3-phenyl-quinoxaline Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-3-phenyl-quinoxaline CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-3-phenylquinoxaline IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-3-phenylquinoxaline Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-3-phenyl-quinoxaline Formula: C27H27FN4O2S MolecularWeight: 490.592283

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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)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H27FN4O2S/c1-19-17-24-25(18-20(19)2)30-27(26(29-24)21-7-4-3-5-8-21)31-13-6-14-32(16-15-31)35(33,34)23-11-9-22(28)10-12-23/h3-5,7-12,17-18H,6,13-16H2,1-2H3