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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O2/c1-3-26-19-10-7-17(15-20(19)25-2)21(16-5-8-18(22)9-6-16)24-13-4-11-23-12-14-24/h5-10,15,21,23H,3-4,11-14H2,1-2H3