3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylcyclohexyl]methyl]quinazolin-4-one Openeye Name: 3-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]quinazolin-4-one CAS Name: 3-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-4-quinazolinone IUPAC Name: 3-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]quinazolin-4-one Traditional Name: 3-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]quinazolin-4-one Formula: C26H29FN4O2 MolecularWeight: 448.532463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H29FN4O2/c27-21-9-11-22(12-10-21)29-13-15-30(16-14-29)25(32)20-7-5-19(6-8-20)17-31-18-28-24-4-2-1-3-23(24)26(31)33/h1-4,9-12,18-20H,5-8,13-17H2