6-[(4-methoxyphenyl)methyl]-3-[(1S,2S)-2-oxidanylcyclohexyl]benzo[h]quinazolin-4-one

Systemtic Name: 6-[(4-methoxyphenyl)methyl]-3-[(1S,2S)-2-oxidanylcyclohexyl]benzo[h]quinazolin-4-one Openeye Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one CAS Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(4-methoxyphenyl)methyl]-4-benzo[h]quinazolinone IUPAC Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one Traditional Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-p-anisyl-benzo[h]quinazolin-4-one Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CC3=C(C4=CC=CC=C42)N=CN(C3=O)C5CCCCC5O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CC3=C(C4=CC=CC=C42)N=CN(C3=O)[C@H]5CCCC[C@@H]5O

InChI

InChI=1S/C26H26N2O3/c1-31-19-12-10-17(11-13-19)14-18-15-22-25(21-7-3-2-6-20(18)21)27-16-28(26(22)30)23-8-4-5-9-24(23)29/h2-3,6-7,10-13,15-16,23-24,29H,4-5,8-9,14H2,1H3/t23-,24-/m0/s1