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

Systemtic Name: 1-[[5-[3,5-bis(bromanyl)-2-methoxy-phenyl]-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Openeye Name: 1-[[5-(3,5-dibromo-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane CAS Name: 1-[[5-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-phenylazepane IUPAC Name: 1-[[5-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-2-phenylazepane Traditional Name: 1-[[5-(3,5-dibromo-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-2-phenyl-azepane Formula: C24H26Br2N2O MolecularWeight: 518.28404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2=CC=C(N2)CN3CCCCCC3C4=CC=CC=C4)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C2=CC=C(N2)CN3CCCCCC3C4=CC=CC=C4)Br)Br

InChI

InChI=1S/C24H26Br2N2O/c1-29-24-20(14-18(25)15-21(24)26)22-12-11-19(27-22)16-28-13-7-3-6-10-23(28)17-8-4-2-5-9-17/h2,4-5,8-9,11-12,14-15,23,27H,3,6-7,10,13,16H2,1H3