(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)N4C=CC=N4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)N4C=CC=N4)C5=CC=CS5)OC

InChI

InChI=1S/C25H23N3O3S/c1-30-21-15-18-10-13-27(24(23-5-3-14-32-23)20(18)16-22(21)31-2)25(29)17-6-8-19(9-7-17)28-12-4-11-26-28/h3-9,11-12,14-16,24H,10,13H2,1-2H3