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

Systemtic Name: 1-[(3-bromophenyl)-(4-ethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(4-ethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(4-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(4-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-p-phenetyl-methyl]-1,4-diazepane Formula: C20H25BrN2O MolecularWeight: 389.3293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCNCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCNCC3

InChI

InChI=1S/C20H25BrN2O/c1-2-24-19-9-7-16(8-10-19)20(17-5-3-6-18(21)15-17)23-13-4-11-22-12-14-23/h3,5-10,15,20,22H,2,4,11-14H2,1H3