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

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrol-3-yl]carbonylpiperazin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-[[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]piperazino]-2-ethyl-hexan-1-one Formula: C30H35ClFN3O2 MolecularWeight: 524.069203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35ClFN3O2/c1-4-6-8-22(5-2)29(36)33-15-17-34(18-16-33)30(37)27-20-28(23-11-13-24(31)14-12-23)35(21(27)3)26-10-7-9-25(32)19-26/h7,9-14,19-20,22H,4-6,8,15-18H2,1-3H3