ethanoic acid; [6-(4-pyridazin-3-yloxypiperidin-1-yl)pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: ethanoic acid; [6-(4-pyridazin-3-yloxypiperidin-1-yl)pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: acetic acid; [6-(4-pyridazin-3-yloxy-1-piperidyl)-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: acetic acid; [6-[4-(3-pyridazinyloxy)-1-piperidinyl]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: acetic acid; [6-(4-pyridazin-3-yloxypiperidin-1-yl)pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: acetic acid; [6-(4-pyridazin-3-yloxypiperidino)-3-pyridyl]-pyrrolidino-methanone Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCN(C1)C(=O)C2=CN=C(C=C2)N3CCC(CC3)OC4=NN=CC=C4

Isomeric SMILES

CC(=O)O.C1CCN(C1)C(=O)C2=CN=C(C=C2)N3CCC(CC3)OC4=NN=CC=C4

InChI

InChI=1S/C19H23N5O2.C2H4O2/c25-19(24-10-1-2-11-24)15-5-6-17(20-14-15)23-12-7-16(8-13-23)26-18-4-3-9-21-22-18;1-2(3)4/h3-6,9,14,16H,1-2,7-8,10-13H2;1H3,(H,3,4)