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

Systemtic Name: 2-[5-[4-(diphenylmethyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-3-(3-fluorophenyl)quinazolin-4-one Openeye Name: 2-[5-(4-benzhydrylpiperazin-1-yl)-5-oxo-pentyl]sulfanyl-3-(3-fluorophenyl)quinazolin-4-one CAS Name: 2-[[5-[4-(diphenylmethyl)-1-piperazinyl]-5-oxopentyl]thio]-3-(3-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[5-(4-benzhydrylpiperazin-1-yl)-5-oxopentyl]sulfanyl-3-(3-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[5-(4-benzhydrylpiperazino)-5-keto-pentyl]thio]-3-(3-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=C6)F

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCSC4=NC5=CC=CC=C5C(=O)N4C6=CC(=CC=C6)F

InChI

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