6-(3-chloranyl-4-fluoranyl-phenyl)-2-ethyl-3-[[(3S)-1-ethylpiperidin-3-yl]methyl]quinazolin-4-one

Systemtic Name: 6-(3-chloranyl-4-fluoranyl-phenyl)-2-ethyl-3-[[(3S)-1-ethylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 6-(3-chloro-4-fluoro-phenyl)-2-ethyl-3-[[(3S)-1-ethyl-3-piperidyl]methyl]quinazolin-4-one CAS Name: 6-(3-chloro-4-fluorophenyl)-2-ethyl-3-[[(3S)-1-ethyl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 6-(3-chloro-4-fluorophenyl)-2-ethyl-3-[[(3S)-1-ethylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 6-(3-chloro-4-fluoro-phenyl)-2-ethyl-3-[[(3S)-1-ethyl-3-piperidyl]methyl]quinazolin-4-one Formula: C24H27ClFN3O MolecularWeight: 427.942083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)F)Cl)C(=O)N1CC4CCCN(C4)CC

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)F)Cl)C(=O)N1C[C@H]4CCCN(C4)CC

InChI

InChI=1S/C24H27ClFN3O/c1-3-23-27-22-10-8-17(18-7-9-21(26)20(25)13-18)12-19(22)24(30)29(23)15-16-6-5-11-28(4-2)14-16/h7-10,12-13,16H,3-6,11,14-15H2,1-2H3/t16-/m0/s1