1-[1-[5-[3,5-bis(bromanyl)-2-methoxy-phenyl]-1H-pyrrol-2-yl]ethyl]azepane hydrochloride

Systemtic Name: 1-[1-[5-[3,5-bis(bromanyl)-2-methoxy-phenyl]-1H-pyrrol-2-yl]ethyl]azepane hydrochloride Openeye Name: 1-[1-[5-(3,5-dibromo-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]azepane hydrochloride CAS Name: 1-[1-[5-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]azepane hydrochloride IUPAC Name: 1-[1-[5-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]azepane hydrochloride Traditional Name: 1-[1-[5-(3,5-dibromo-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]azepane hydrochloride Formula: C19H25Br2ClN2O MolecularWeight: 492.6756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(N1)C2=CC(=CC(=C2OC)Br)Br)N3CCCCCC3.Cl

Isomeric SMILES

CC(C1=CC=C(N1)C2=CC(=CC(=C2OC)Br)Br)N3CCCCCC3.Cl

InChI

InChI=1S/C19H24Br2N2O.ClH/c1-13(23-9-5-3-4-6-10-23)17-7-8-18(22-17)15-11-14(20)12-16(21)19(15)24-2;/h7-8,11-13,22H,3-6,9-10H2,1-2H3;1H