(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N3O/c1-13-17(14(2)20(3)19-13)8-9-18(22)21-11-10-15-6-4-5-7-16(15)12-21/h4-9H,10-12H2,1-3H3/b9-8+