1-[(3-bromophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O2/c1-3-26-19-9-8-17(15-20(19)25-2)21(16-6-4-7-18(22)14-16)24-12-5-10-23-11-13-24/h4,6-9,14-15,21,23H,3,5,10-13H2,1-2H3