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

Systemtic Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[[5-(4-fluorophenyl)-2-methyl-1-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazino]heptan-1-one Formula: C29H34FN3O2 MolecularWeight: 475.597563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34FN3O2/c1-3-4-5-9-12-28(34)31-17-19-32(20-18-31)29(35)26-21-27(23-13-15-24(30)16-14-23)33(22(26)2)25-10-7-6-8-11-25/h6-8,10-11,13-16,21H,3-5,9,12,17-20H2,1-2H3