2-ethylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[4-(pyrazol-1-ylmethyl)benzyl]-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)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C23H26N4O3S/c1-2-31(29,30)27-17-21-7-4-3-6-20(21)14-22(27)23(28)24-15-18-8-10-19(11-9-18)16-26-13-5-12-25-26/h3-13,22H,2,14-17H2,1H3,(H,24,28)