(5-bromanylpyridin-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C25H22BrN5O MolecularWeight: 488.37908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CN=C2)Br)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CN=C2)Br)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C25H22BrN5O/c26-20-15-19(16-27-17-20)25(32)31-12-6-11-30(13-14-31)24-23(18-7-2-1-3-8-18)28-21-9-4-5-10-22(21)29-24/h1-5,7-10,15-17H,6,11-14H2