1-[(3S,3aS)-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S,3aS)-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazol-2-yl]ethanone Openeye Name: 1-[(3S,3aS)-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazol-2-yl]ethanone CAS Name: 1-[(3S,3aS)-3-phenyl-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]pyrazol-2-yl]ethanone IUPAC Name: 1-[(3S,3aS)-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazol-2-yl]ethanone Traditional Name: 1-[(3S,3aS)-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazol-2-yl]ethanone Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2COC3=CC=CC=C3C2=N1)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1[C@@H]([C@@H]2COC3=CC=CC=C3C2=N1)C4=CC=CC=C4

InChI

InChI=1S/C18H16N2O2/c1-12(21)20-18(13-7-3-2-4-8-13)15-11-22-16-10-6-5-9-14(16)17(15)19-20/h2-10,15,18H,11H2,1H3/t15-,18-/m1/s1