(E)-3-(4-tert-butylphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-tert-butylphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-tert-butylphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one CAS Name: (E)-3-(4-tert-butylphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-propen-1-one IUPAC Name: (E)-3-(4-tert-butylphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-tert-butylphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Formula: C22H25NO MolecularWeight: 319.44

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H25NO/c1-22(2,3)20-11-8-17(9-12-20)10-13-21(24)23-15-14-18-6-4-5-7-19(18)16-23/h4-13H,14-16H2,1-3H3/b13-10+