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

Systemtic Name: 1-[4-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonylpiperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperazino]heptan-1-one Formula: C30H36FN3O3 MolecularWeight: 505.623543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36FN3O3/c1-4-5-6-7-15-29(35)32-16-18-33(19-17-32)30(36)25-21-28(23-11-10-12-24(20-23)37-3)34(22(25)2)27-14-9-8-13-26(27)31/h8-14,20-21H,4-7,15-19H2,1-3H3