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

Systemtic Name: 2-cyclopropyl-6-(4-fluoranylphenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 2-cyclopropyl-6-(4-fluorophenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one CAS Name: 2-cyclopropyl-6-(4-fluorophenoxy)-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 2-cyclopropyl-6-(4-fluorophenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 2-cyclopropyl-6-(4-fluorophenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one Formula: C26H30FN3O2 MolecularWeight: 435.533703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCC(C1)CN2C(=NC3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)F)C5CC5

Isomeric SMILES

CC(C)N1CCC[C@@H](C1)CN2C(=NC3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)F)C5CC5

InChI

InChI=1S/C26H30FN3O2/c1-17(2)29-13-3-4-18(15-29)16-30-25(19-5-6-19)28-24-12-11-22(14-23(24)26(30)31)32-21-9-7-20(27)8-10-21/h7-12,14,17-19H,3-6,13,15-16H2,1-2H3/t18-/m0/s1