6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid

Systemtic Name: 6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid Openeye Name: 6-[3-(4-benzhydryloxy-1-piperidyl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid CAS Name: 6-[3-[4-(diphenylmethyl)oxy-1-piperidinyl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid IUPAC Name: 6-[3-(4-benzhydryloxypiperidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid Traditional Name: 6-[3-(4-benzhydryloxypiperidino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCNC4=NN5C(=NN=C5C(=O)O)C=C4

Isomeric SMILES

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCNC4=NN5C(=NN=C5C(=O)O)C=C4

InChI

InChI=1S/C27H30N6O3/c34-27(35)26-30-29-24-13-12-23(31-33(24)26)28-16-7-17-32-18-14-22(15-19-32)36-25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-13,22,25H,7,14-19H2,(H,28,31)(H,34,35)