2-oxidanylpropane-1,2,3-tricarboxylate; 2-[6-(1-pyrrolidin-1-ylpropyl)naphthalen-2-yl]pyridazin-3-one

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 2-[6-(1-pyrrolidin-1-ylpropyl)naphthalen-2-yl]pyridazin-3-one Openeye Name: 2-[6-(1-pyrrolidin-1-ylpropyl)-2-naphthyl]pyridazin-3-one citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-[6-[1-(1-pyrrolidinyl)propyl]-2-naphthalenyl]-3-pyridazinone IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-[6-(1-pyrrolidin-1-ylpropyl)naphthalen-2-yl]pyridazin-3-one Traditional Name: 2-[6-(1-pyrrolidinopropyl)-2-naphthyl]pyridazin-3-one citrate Formula: C27H28N3O8-3 MolecularWeight: 522.52652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)C=C(C=C2)N3C(=O)C=CC=N3)N4CCCC4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC(C1=CC2=C(C=C1)C=C(C=C2)N3C(=O)C=CC=N3)N4CCCC4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H23N3O.C6H8O7/c1-2-20(23-12-3-4-13-23)18-8-7-17-15-19(10-9-16(17)14-18)24-21(25)6-5-11-22-24;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-11,14-15,20H,2-4,12-13H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3