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

Systemtic Name: ethanedioic acid; 2-(3-ethoxypropylamino)-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(3-ethoxypropylamino)-1-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone; oxalic acid CAS Name: 2-(3-ethoxypropylamino)-1-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]ethanone; oxalic acid IUPAC Name: 2-(3-ethoxypropylamino)-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone; oxalic acid Traditional Name: 2-(3-ethoxypropylamino)-1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethanone; oxalic acid Formula: C29H33N3O7 MolecularWeight: 535.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNCC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOCCCNCC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31N3O3.C2H2O4/c1-3-33-16-6-15-28-19-27(31)30-26(21-11-13-24(32-2)14-12-21)18-25(29-30)23-10-9-20-7-4-5-8-22(20)17-23;3-1(4)2(5)6/h4-5,7-14,17,26,28H,3,6,15-16,18-19H2,1-2H3;(H,3,4)(H,5,6)