2-[[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C26H26FN5O2 MolecularWeight: 459.515343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H26FN5O2/c1-17-15-22(18(2)32(17)20-9-7-19(27)8-10-20)26(34)31-13-11-30(12-14-31)16-24-28-23-6-4-3-5-21(23)25(33)29-24/h3-10,15H,11-14,16H2,1-2H3,(H,28,29,33)