5-(azetidin-2-yl)-2-[4-(phenylcarbonyl)phenyl]-6-(3-phenylpropyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 5-(azetidin-2-yl)-2-[4-(phenylcarbonyl)phenyl]-6-(3-phenylpropyl)cyclohexa-2,4-dien-1-one Openeye Name: 5-(azetidin-2-yl)-2-(4-benzoylphenyl)-6-(3-phenylpropyl)cyclohexa-2,4-dien-1-one CAS Name: 5-(2-azetidinyl)-2-(4-benzoylphenyl)-6-(3-phenylpropyl)-1-cyclohexa-2,4-dienone IUPAC Name: 5-(azetidin-2-yl)-2-(4-benzoylphenyl)-6-(3-phenylpropyl)cyclohexa-2,4-dien-1-one Traditional Name: 5-(azetidin-2-yl)-2-(4-benzoylphenyl)-6-(3-phenylpropyl)cyclohexa-2,4-dien-1-one Formula: C31H29NO2 MolecularWeight: 447.56746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC1C2=CC=C(C(=O)C2CCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CNC1C2=CC=C(C(=O)C2CCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H29NO2/c33-30(24-11-5-2-6-12-24)25-16-14-23(15-17-25)26-18-19-27(29-20-21-32-29)28(31(26)34)13-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-12,14-19,28-29,32H,7,10,13,20-21H2