1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-(2,4-dimethylphenyl)methyl]-1,4-diazepane Formula: C20H25BrN2 MolecularWeight: 373.3299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCNCC3)C

InChI

InChI=1S/C20H25BrN2/c1-15-7-8-19(16(2)13-15)20(17-5-3-6-18(21)14-17)23-11-4-9-22-10-12-23/h3,5-8,13-14,20,22H,4,9-12H2,1-2H3