ethanedioic acid; 1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-(pyridin-2-ylmethylamino)ethanone

Systemtic Name: ethanedioic acid; 1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-(pyridin-2-ylmethylamino)ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridylmethylamino)ethanone; oxalic acid CAS Name: 1-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridinylmethylamino)ethanone; oxalic acid IUPAC Name: 1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-(pyridin-2-ylmethylamino)ethanone; oxalic acid Traditional Name: 1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]-2-(2-pyridylmethylamino)ethanone; oxalic acid Formula: C30H28N4O6 MolecularWeight: 540.56652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CNCC3=CC=CC=N3)C4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CNCC3=CC=CC=N3)C4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H26N4O2.C2H2O4/c1-34-25-13-11-21(12-14-25)27-17-26(23-10-9-20-6-2-3-7-22(20)16-23)31-32(27)28(33)19-29-18-24-8-4-5-15-30-24;3-1(4)2(5)6/h2-16,27,29H,17-19H2,1H3;(H,3,4)(H,5,6)