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

Systemtic Name: ethanedioic acid; 1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-(prop-2-enylamino)ethanone Openeye Name: 2-(allylamino)-1-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone; oxalic acid CAS Name: 1-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-(prop-2-enylamino)ethanone; oxalic acid IUPAC Name: 1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-(prop-2-enylamino)ethanone; oxalic acid Traditional Name: 2-(allylamino)-1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethanone; oxalic acid Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CNCC=C)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CNCC=C)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25N3O2.C2H2O4/c1-3-14-26-17-25(29)28-24(19-10-12-22(30-2)13-11-19)16-23(27-28)21-9-8-18-6-4-5-7-20(18)15-21;3-1(4)2(5)6/h3-13,15,24,26H,1,14,16-17H2,2H3;(H,3,4)(H,5,6)