N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C23H26N4O3S/c1-4-31(29,30)26-15-19-8-6-5-7-18(19)14-22(26)23(28)24-20-9-11-21(12-10-20)27-17(3)13-16(2)25-27/h5-13,22H,4,14-15H2,1-3H3,(H,24,28)