(4-bromanyl-2-fluoranyl-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-bromo-2-fluoro-phenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-bromo-2-fluorophenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-bromo-2-fluorophenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-bromo-2-fluoro-phenyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H22BrFN2O MolecularWeight: 405.303883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H22BrFN2O/c1-15-3-5-16(6-4-15)14-23-9-2-10-24(12-11-23)20(25)18-8-7-17(21)13-19(18)22/h3-8,13H,2,9-12,14H2,1H3