(3S)-2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CN3CC4=CC=CC=C4CC3C(=O)N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CN3CC4=CC=CC=C4C[C@H]3C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c1-33-24-13-11-19(12-14-24)26-22(18-31(29-26)23-9-3-2-4-10-23)17-30-16-21-8-6-5-7-20(21)15-25(30)27(28)32/h2-14,18,25H,15-17H2,1H3,(H2,28,32)/t25-/m0/s1