(2-bromanyl-5-methoxy-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O2/c1-16-4-6-17(7-5-16)15-23-10-3-11-24(13-12-23)21(25)19-14-18(26-2)8-9-20(19)22/h4-9,14H,3,10-13,15H2,1-2H3