1-[(2-bromanyl-4,5-dimethoxy-phenyl)-naphthalen-1-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-naphthalen-1-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(1-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(1-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(1-naphthyl)methyl]-1,4-diazepane Formula: C24H27BrN2O2 MolecularWeight: 455.38738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCNCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCNCC4)Br)OC

InChI

InChI=1S/C24H27BrN2O2/c1-28-22-15-20(21(25)16-23(22)29-2)24(27-13-6-11-26-12-14-27)19-10-5-8-17-7-3-4-9-18(17)19/h3-5,7-10,15-16,24,26H,6,11-14H2,1-2H3