2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazine-1-carbonyl]benzoic acid CAS Name: 2-[[4-[6-[(2-cyclopropylethylamino)-oxomethyl]-3-pyridazinyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazine-1-carbonyl]benzoic acid Traditional Name: 2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazine-1-carbonyl]benzoic acid Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CCNC(=O)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CC1CCNC(=O)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H25N5O4/c28-20(23-10-9-15-5-6-15)18-7-8-19(25-24-18)26-11-13-27(14-12-26)21(29)16-3-1-2-4-17(16)22(30)31/h1-4,7-8,15H,5-6,9-14H2,(H,23,28)(H,30,31)