3-[(1S,2S)-2-methyl-2-oxidanyl-cyclohexyl]-6-[(6-methylpyridin-3-yl)methyl]benzo[h]quinazolin-4-one

Systemtic Name: 3-[(1S,2S)-2-methyl-2-oxidanyl-cyclohexyl]-6-[(6-methylpyridin-3-yl)methyl]benzo[h]quinazolin-4-one Openeye Name: 3-[(1S,2S)-2-hydroxy-2-methyl-cyclohexyl]-6-[(6-methyl-3-pyridyl)methyl]benzo[h]quinazolin-4-one CAS Name: 3-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-6-[(6-methyl-3-pyridinyl)methyl]-4-benzo[h]quinazolinone IUPAC Name: 3-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]-6-[(6-methylpyridin-3-yl)methyl]benzo[h]quinazolin-4-one Traditional Name: 3-[(1S,2S)-2-hydroxy-2-methyl-cyclohexyl]-6-[(6-methyl-3-pyridyl)methyl]benzo[h]quinazolin-4-one Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CC3=C(C4=CC=CC=C42)N=CN(C3=O)C5CCCCC5(C)O

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CC3=C(C4=CC=CC=C42)N=CN(C3=O)[C@H]5CCCC[C@]5(C)O

InChI

InChI=1S/C26H27N3O2/c1-17-10-11-18(15-27-17)13-19-14-22-24(21-8-4-3-7-20(19)21)28-16-29(25(22)30)23-9-5-6-12-26(23,2)31/h3-4,7-8,10-11,14-16,23,31H,5-6,9,12-13H2,1-2H3/t23-,26-/m0/s1