(3-fluoranyl-4-pyrazol-1-yl-phenyl)-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-yl-methanone

Systemtic Name: (3-fluoranyl-4-pyrazol-1-yl-phenyl)-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-yl-methanone Openeye Name: (3-fluoro-4-pyrazol-1-yl-phenyl)-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-yl-methanone CAS Name: [3-fluoro-4-(1-pyrazolyl)phenyl]-(1-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]yl)methanone IUPAC Name: (3-fluoro-4-pyrazol-1-ylphenyl)-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-ylmethanone Traditional Name: (3-fluoro-4-pyrazol-1-yl-phenyl)-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-yl-methanone Formula: C25H24FN3O MolecularWeight: 401.475963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=CC2(C1)CCN(C3=CC=CC=C3C2)C(=O)C4=CC(=C(C=C4)N5C=CC=N5)F

Isomeric SMILES

C1CC=CC2(C1)CCN(C3=CC=CC=C3C2)C(=O)C4=CC(=C(C=C4)N5C=CC=N5)F

InChI

InChI=1S/C25H24FN3O/c26-21-17-19(9-10-23(21)29-15-6-14-27-29)24(30)28-16-13-25(11-4-1-5-12-25)18-20-7-2-3-8-22(20)28/h2-4,6-11,14-15,17H,1,5,12-13,16,18H2