3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C25H23N3OS/c1-17-9-10-22(18(2)14-17)28-23(15-21(26-28)24-8-5-13-30-24)25(29)27-12-11-19-6-3-4-7-20(19)16-27/h3-10,13-15H,11-12,16H2,1-2H3