1-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonylpiperazin-1-yl]hexan-1-one

Systemtic Name: 1-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonylpiperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazino]hexan-1-one Formula: C29H34FN3O3 MolecularWeight: 491.596963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4F)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4F)C

InChI

InChI=1S/C29H34FN3O3/c1-4-5-6-11-28(34)31-16-18-32(19-17-31)29(35)24-20-27(22-12-14-23(36-3)15-13-22)33(21(24)2)26-10-8-7-9-25(26)30/h7-10,12-15,20H,4-6,11,16-19H2,1-3H3