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

Systemtic Name: 6-(4-chloranylphenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-2-propyl-quinazolin-4-one Openeye Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-propyl-quinazolin-4-one CAS Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-2-propyl-4-quinazolinone IUPAC Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-2-propylquinazolin-4-one Traditional Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-propyl-quinazolin-4-one Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)N1CC4CCCN(C4)C(C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)N1C[C@H]4CCCN(C4)C(C)C

InChI

InChI=1S/C26H32ClN3O2/c1-4-6-25-28-24-13-12-22(32-21-10-8-20(27)9-11-21)15-23(24)26(31)30(25)17-19-7-5-14-29(16-19)18(2)3/h8-13,15,18-19H,4-7,14,16-17H2,1-3H3/t19-/m0/s1