N-(2,6-dimethylphenyl)-2-[4-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazino]acetamide Formula: C27H31FN4O2 MolecularWeight: 462.559043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4F)C

InChI

InChI=1S/C27H31FN4O2/c1-18-8-7-9-19(2)26(18)29-25(33)17-30-12-14-31(15-13-30)27(34)22-16-20(3)32(21(22)4)24-11-6-5-10-23(24)28/h5-11,16H,12-15,17H2,1-4H3,(H,29,33)