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

Systemtic Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]octan-1-one Openeye Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[[5-(4-fluorophenyl)-2-methyl-1-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazino]octan-1-one Formula: C30H36FN3O2 MolecularWeight: 489.624143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36FN3O2/c1-3-4-5-6-10-13-29(35)32-18-20-33(21-19-32)30(36)27-22-28(24-14-16-25(31)17-15-24)34(23(27)2)26-11-8-7-9-12-26/h7-9,11-12,14-17,22H,3-6,10,13,18-21H2,1-2H3