4-phenyl-1-pyridin-4-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyran-3-one

Systemtic Name: 4-phenyl-1-pyridin-4-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyran-3-one Openeye Name: 4-phenyl-1-(4-pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyran-3-one CAS Name: 4-phenyl-1-pyridin-4-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyran-3-one IUPAC Name: 4-phenyl-1-pyridin-4-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyran-3-one Traditional Name: 4-phenyl-1-(4-pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyran-3-one Formula: C22H21NO2 MolecularWeight: 331.40764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(OC(=O)C(=C2CC1)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCCC2=C(OC(=O)C(=C2CC1)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H21NO2/c24-22-20(16-8-4-3-5-9-16)18-10-6-1-2-7-11-19(18)21(25-22)17-12-14-23-15-13-17/h3-5,8-9,12-15H,1-2,6-7,10-11H2