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

Systemtic Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[[5-(4-fluorophenyl)-2-methyl-1-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazino]hexan-1-one Formula: C28H32FN3O2 MolecularWeight: 461.570983

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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)F)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C28H32FN3O2/c1-3-4-6-11-27(33)30-16-18-31(19-17-30)28(34)25-20-26(22-12-14-23(29)15-13-22)32(21(25)2)24-9-7-5-8-10-24/h5,7-10,12-15,20H,3-4,6,11,16-19H2,1-2H3