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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H26FN3O3S MolecularWeight: 503.587743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC(=CC=C5)F

InChI

InChI=1S/C28H26FN3O3S/c1-35-23-11-9-22(10-12-23)32-27(34)24-13-8-20(26(33)31-14-3-2-4-15-31)17-25(24)30-28(32)36-18-19-6-5-7-21(29)16-19/h5-13,16-17H,2-4,14-15,18H2,1H3