2-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(1-benzyl-3-phenylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2S/c29-31(30,28-16-15-21-11-7-8-14-23(21)18-28)24-19-27(17-20-9-3-1-4-10-20)26-25(24)22-12-5-2-6-13-22/h1-14,19H,15-18H2