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

Systemtic Name: 3-[(1S,2S)-2-oxidanylcyclohexyl]-6-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzo[h]quinazolin-4-one Openeye Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-pyrazol-1-yl-3-pyridyl)methyl]benzo[h]quinazolin-4-one CAS Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-4-benzo[h]quinazolinone IUPAC Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzo[h]quinazolin-4-one Traditional Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-pyrazol-1-yl-3-pyridyl)methyl]benzo[h]quinazolin-4-one Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2C=NC3=C(C2=O)C=C(C4=CC=CC=C43)CC5=CN=C(C=C5)N6C=CC=N6)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)N2C=NC3=C(C2=O)C=C(C4=CC=CC=C43)CC5=CN=C(C=C5)N6C=CC=N6)O

InChI

InChI=1S/C27H25N5O2/c33-24-9-4-3-8-23(24)31-17-29-26-21-7-2-1-6-20(21)19(15-22(26)27(31)34)14-18-10-11-25(28-16-18)32-13-5-12-30-32/h1-2,5-7,10-13,15-17,23-24,33H,3-4,8-9,14H2/t23-,24-/m0/s1