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

Systemtic Name: 6-(2-chloranyl-4-fluoranyl-phenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 6-(2-chloro-4-fluoro-phenyl)-2-isopropyl-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one CAS Name: 6-(2-chloro-4-fluorophenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 6-(2-chloro-4-fluorophenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 6-(2-chloro-4-fluoro-phenyl)-2-isopropyl-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one Formula: C26H31ClFN3O MolecularWeight: 455.995243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)C3=C(C=C(C=C3)F)Cl)C(=O)N1CC4CCCN(C4)C(C)C

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)C3=C(C=C(C=C3)F)Cl)C(=O)N1C[C@H]4CCCN(C4)C(C)C

InChI

InChI=1S/C26H31ClFN3O/c1-16(2)25-29-24-10-7-19(21-9-8-20(28)13-23(21)27)12-22(24)26(32)31(25)15-18-6-5-11-30(14-18)17(3)4/h7-10,12-13,16-18H,5-6,11,14-15H2,1-4H3/t18-/m0/s1