2-[2-(3-methoxyphenyl)-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[2-(3-methoxyphenyl)-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid Openeye Name: 2-[2-(3-methoxyphenyl)-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid CAS Name: 2-[2-(3-methoxyphenyl)-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[2-(3-methoxyphenyl)-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid Traditional Name: 2-[1-(3-methoxyphenyl)-3-pyrazolin-3-yl]-6H-isoquinoline-1-carboxylic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CC(N2)N3C=CC4=CCC=CC4=C3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CC(N2)N3C=CC4=CCC=CC4=C3C(=O)O

InChI

InChI=1S/C20H19N3O3/c1-26-16-7-4-6-15(13-16)23-12-10-18(21-23)22-11-9-14-5-2-3-8-17(14)19(22)20(24)25/h3-13,18,21H,2H2,1H3,(H,24,25)