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

Systemtic Name: (3S)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[3-(4-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=C(C=C1)C2=NN(C=C2C(=O)N3CC4=CC=CC=C4CC3C(=O)N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-34-22-13-11-18(12-14-22)25-23(17-31(29-25)21-9-3-2-4-10-21)27(33)30-16-20-8-6-5-7-19(20)15-24(30)26(28)32/h2-14,17,24H,15-16H2,1H3,(H2,28,32)/t24-/m0/s1