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

Systemtic Name: (3S)-2-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC4=CC=CC=C4CC3C(=O)N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-34-24-14-8-7-13-21(24)25-22(17-31(29-25)20-11-3-2-4-12-20)27(33)30-16-19-10-6-5-9-18(19)15-23(30)26(28)32/h2-14,17,23H,15-16H2,1H3,(H2,28,32)/t23-/m0/s1