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

Systemtic Name: 6-(4-fluoranyl-2-methyl-phenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 6-(4-fluoro-2-methyl-phenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-methyl-quinazolin-4-one CAS Name: 6-(4-fluoro-2-methylphenoxy)-2-methyl-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 6-(4-fluoro-2-methylphenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 6-(4-fluoro-2-methyl-phenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-methyl-quinazolin-4-one Formula: C25H30FN3O2 MolecularWeight: 423.523003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)OC2=CC3=C(C=C2)N=C(N(C3=O)CC4CCCN(C4)C(C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)OC2=CC3=C(C=C2)N=C(N(C3=O)C[C@H]4CCCN(C4)C(C)C)C

InChI

InChI=1S/C25H30FN3O2/c1-16(2)28-11-5-6-19(14-28)15-29-18(4)27-23-9-8-21(13-22(23)25(29)30)31-24-10-7-20(26)12-17(24)3/h7-10,12-13,16,19H,5-6,11,14-15H2,1-4H3/t19-/m0/s1