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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C=C1)N2CCCCCC2)C3=CC(=CC(=C3OC)Br)Br.Cl

Isomeric SMILES

CCC1=C(N(C=C1)N2CCCCCC2)C3=CC(=CC(=C3OC)Br)Br.Cl

InChI

InChI=1S/C19H24Br2N2O.ClH/c1-3-14-8-11-23(22-9-6-4-5-7-10-22)18(14)16-12-15(20)13-17(21)19(16)24-2;/h8,11-13H,3-7,9-10H2,1-2H3;1H