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

Systemtic Name: 3-[(1S,2S)-2-oxidanylcyclohexyl]-6-(pyridin-4-ylmethyl)benzo[h]quinazolin-4-one Openeye Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-(4-pyridylmethyl)benzo[h]quinazolin-4-one CAS Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethyl)-4-benzo[h]quinazolinone IUPAC Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-(pyridin-4-ylmethyl)benzo[h]quinazolin-4-one Traditional Name: 3-[(1S,2S)-2-hydroxycyclohexyl]-6-(4-pyridylmethyl)benzo[h]quinazolin-4-one Formula: C24H23N3O2 MolecularWeight: 385.45832

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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=CC=NC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2/c28-22-8-4-3-7-21(22)27-15-26-23-19-6-2-1-5-18(19)17(14-20(23)24(27)29)13-16-9-11-25-12-10-16/h1-2,5-6,9-12,14-15,21-22,28H,3-4,7-8,13H2/t21-,22-/m0/s1