1-(4-cyclohexylpiperazin-1-yl)-2-[3-ethanoyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]ethanone

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-2-[3-ethanoyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]ethanone Openeye Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]-1-(4-cyclohexylpiperazin-1-yl)ethanone CAS Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1-pyrrolyl]-1-(4-cyclohexyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-1-(4-cyclohexylpiperazin-1-yl)ethanone Traditional Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]-1-(4-cyclohexylpiperazino)ethanone Formula: C25H32FN3O2 MolecularWeight: 425.538883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC(=O)N2CCN(CC2)C3CCCCC3)C4=CC=C(C=C4)F)C(=O)C

Isomeric SMILES

CC1=C(C=C(N1CC(=O)N2CCN(CC2)C3CCCCC3)C4=CC=C(C=C4)F)C(=O)C

InChI

InChI=1S/C25H32FN3O2/c1-18-23(19(2)30)16-24(20-8-10-21(26)11-9-20)29(18)17-25(31)28-14-12-27(13-15-28)22-6-4-3-5-7-22/h8-11,16,22H,3-7,12-15,17H2,1-2H3