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

Systemtic Name: 1-[(2-bromophenyl)-(4-ethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(4-ethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(4-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(4-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-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=C2Br)N3CCCNCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2Br)N3CCCNCC3

InChI

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