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

Systemtic Name: 1-[(3-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29BrN2O2 MolecularWeight: 433.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O2/c1-3-26-20-10-9-18(16-21(20)27-4-2)22(17-7-5-8-19(23)15-17)25-13-6-11-24-12-14-25/h5,7-10,15-16,22,24H,3-4,6,11-14H2,1-2H3