3-[1-[4-(3-chloranyl-5-methyl-4-oxidanyl-phenyl)carbonyl-6-methyl-pyridin-2-yl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

Systemtic Name: 3-[1-[4-(3-chloranyl-5-methyl-4-oxidanyl-phenyl)carbonyl-6-methyl-pyridin-2-yl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one Openeye Name: 3-[1-[4-(3-chloro-4-hydroxy-5-methyl-benzoyl)-6-methyl-2-pyridyl]-4-piperidyl]-1,4-dihydroquinazolin-2-one CAS Name: 3-[1-[4-[(3-chloro-4-hydroxy-5-methylphenyl)-oxomethyl]-6-methyl-2-pyridinyl]-4-piperidinyl]-1,4-dihydroquinazolin-2-one IUPAC Name: 3-[1-[4-(3-chloro-4-hydroxy-5-methylbenzoyl)-6-methylpyridin-2-yl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one Traditional Name: 3-[1-[4-(3-chloro-4-hydroxy-5-methyl-benzoyl)-6-methyl-2-pyridyl]-4-piperidyl]-1,4-dihydroquinazolin-2-one Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)C2=CC(=NC(=C2)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C)Cl)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)C2=CC(=NC(=C2)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C)Cl)O

InChI

InChI=1S/C27H27ClN4O3/c1-16-11-19(13-22(28)25(16)33)26(34)20-12-17(2)29-24(14-20)31-9-7-21(8-10-31)32-15-18-5-3-4-6-23(18)30-27(32)35/h3-6,11-14,21,33H,7-10,15H2,1-2H3,(H,30,35)