2-[5-[4-(diphenylmethyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[5-[4-(diphenylmethyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one Openeye Name: 2-[5-(4-benzhydrylpiperazin-1-yl)-5-oxo-pentyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one CAS Name: 2-[[5-[4-(diphenylmethyl)-1-piperazinyl]-5-oxopentyl]thio]-3-(2-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[5-(4-benzhydrylpiperazin-1-yl)-5-oxopentyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[5-(4-benzhydrylpiperazino)-5-keto-pentyl]thio]-3-(2-fluorophenyl)quinazolin-4-one Formula: C36H35FN4O2S MolecularWeight: 606.752103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6F

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCSC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6F

InChI

InChI=1S/C36H35FN4O2S/c37-30-18-8-10-20-32(30)41-35(43)29-17-7-9-19-31(29)38-36(41)44-26-12-11-21-33(42)39-22-24-40(25-23-39)34(27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-10,13-20,34H,11-12,21-26H2