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

Systemtic Name: 1-(azepan-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-(azepan-1-yl)ethanone CAS Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1-pyrrolyl]-1-(1-azepanyl)ethanone IUPAC Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]-1-(azepan-1-yl)ethanone Formula: C21H25FN2O2 MolecularWeight: 356.433803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC(=O)N2CCCCCC2)C3=CC=C(C=C3)F)C(=O)C

Isomeric SMILES

CC1=C(C=C(N1CC(=O)N2CCCCCC2)C3=CC=C(C=C3)F)C(=O)C

InChI

InChI=1S/C21H25FN2O2/c1-15-19(16(2)25)13-20(17-7-9-18(22)10-8-17)24(15)14-21(26)23-11-5-3-4-6-12-23/h7-10,13H,3-6,11-12,14H2,1-2H3