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

Systemtic Name: 6-(4-chlorophenyl)-2-(3-methylpyridin-2-yl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 6-(4-chlorophenyl)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-(3-methyl-2-pyridyl)quinazolin-4-one CAS Name: 6-(4-chlorophenyl)-2-(3-methyl-2-pyridinyl)-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 6-(4-chlorophenyl)-2-(3-methylpyridin-2-yl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 6-(4-chlorophenyl)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-(3-methyl-2-pyridyl)quinazolin-4-one Formula: C29H31ClN4O MolecularWeight: 487.03564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2=NC3=C(C=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)N2CC5CCCN(C5)C(C)C

Isomeric SMILES

CC1=C(N=CC=C1)C2=NC3=C(C=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)N2C[C@H]5CCCN(C5)C(C)C

InChI

InChI=1S/C29H31ClN4O/c1-19(2)33-15-5-7-21(17-33)18-34-28(27-20(3)6-4-14-31-27)32-26-13-10-23(16-25(26)29(34)35)22-8-11-24(30)12-9-22/h4,6,8-14,16,19,21H,5,7,15,17-18H2,1-3H3/t21-/m0/s1