(5-bromanylpyridin-3-yl)-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(6,7-dimethyl-3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C27H26BrN5O MolecularWeight: 516.43224

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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)C5=CC(=CN=C5)Br

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)C(=O)C5=CC(=CN=C5)Br

InChI

InChI=1S/C27H26BrN5O/c1-18-13-23-24(14-19(18)2)31-26(25(30-23)20-7-4-3-5-8-20)32-9-6-10-33(12-11-32)27(34)21-15-22(28)17-29-16-21/h3-5,7-8,13-17H,6,9-12H2,1-2H3