5-phenyl-3-(pyridin-4-ylmethylamino)cyclohex-2-en-1-one

Systemtic Name: 5-phenyl-3-(pyridin-4-ylmethylamino)cyclohex-2-en-1-one Openeye Name: 5-phenyl-3-(4-pyridylmethylamino)cyclohex-2-en-1-one CAS Name: 5-phenyl-3-(pyridin-4-ylmethylamino)-1-cyclohex-2-enone IUPAC Name: 5-phenyl-3-(pyridin-4-ylmethylamino)cyclohex-2-en-1-one Traditional Name: 5-phenyl-3-(4-pyridylmethylamino)cyclohex-2-en-1-one Formula: C18H18N2O MolecularWeight: 278.34832

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C=C1NCC2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

C1C(CC(=O)C=C1NCC2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O/c21-18-11-16(15-4-2-1-3-5-15)10-17(12-18)20-13-14-6-8-19-9-7-14/h1-9,12,16,20H,10-11,13H2