3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3-fluorophenyl)-2-[(4-nitrobenzyl)thio]-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H23FN4O4S MolecularWeight: 518.559323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)F

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)F

InChI

InChI=1S/C27H23FN4O4S/c28-20-5-4-6-22(16-20)31-26(34)23-12-9-19(25(33)30-13-2-1-3-14-30)15-24(23)29-27(31)37-17-18-7-10-21(11-8-18)32(35)36/h4-12,15-16H,1-3,13-14,17H2