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

Systemtic Name: 6-(4-chloranylphenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-methyl-quinazolin-4-one CAS Name: 6-(4-chlorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 6-(4-chlorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-methyl-quinazolin-4-one Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)N1CC4CCCN(C4)C(C)C

Isomeric SMILES

CC1=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/C24H28ClN3O2/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1