(3-bromophenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromophenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H25BrN2O MolecularWeight: 401.34

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O/c1-16-7-8-18(13-17(16)2)15-23-9-4-10-24(12-11-23)21(25)19-5-3-6-20(22)14-19/h3,5-8,13-14H,4,9-12,15H2,1-2H3