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

Systemtic Name: (3S)-2-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC4=CC=CC=C4CC3C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3/c1-35-25-14-8-7-13-22(25)26-23(18-31(30-26)16-19-9-3-2-4-10-19)28(34)32-17-21-12-6-5-11-20(21)15-24(32)27(29)33/h2-14,18,24H,15-17H2,1H3,(H2,29,33)/t24-/m0/s1