(3S)-N-methyl-2-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-methyl-2-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-methyl-2-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-methyl-2-[oxo-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-methyl-2-(2-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-methyl-2-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CNC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H22N4O2S/c1-26-24(30)21-14-17-8-5-6-9-18(17)16-28(21)25(31)22-15-20(23-12-7-13-32-23)27-29(22)19-10-3-2-4-11-19/h2-13,15,21H,14,16H2,1H3,(H,26,30)/t21-/m0/s1