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

Systemtic Name: 6-(3-chloranyl-4-fluoranyl-phenyl)-2-ethyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 6-(3-chloro-4-fluoro-phenyl)-2-ethyl-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one CAS Name: 6-(3-chloro-4-fluorophenyl)-2-ethyl-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 6-(3-chloro-4-fluorophenyl)-2-ethyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 6-(3-chloro-4-fluoro-phenyl)-2-ethyl-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one Formula: C25H29ClFN3O MolecularWeight: 441.968663

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClFN3O/c1-4-24-28-23-10-8-18(19-7-9-22(27)21(26)13-19)12-20(23)25(31)30(24)15-17-6-5-11-29(14-17)16(2)3/h7-10,12-13,16-17H,4-6,11,14-15H2,1-3H3/t17-/m0/s1