(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3OS/c29-24(27-15-14-19-7-4-5-8-20(19)17-27)13-12-21-18-28(22-9-2-1-3-10-22)26-25(21)23-11-6-16-30-23/h1-13,16,18H,14-15,17H2/b13-12+