2-[4-[5-(morpholin-4-ylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-[5-(morpholin-4-ylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-[4-benzyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]-1-piperidyl]pyridine-3-carboxylic acid CAS Name: 2-[4-[5-(4-morpholinylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[4-benzyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-[4-benzyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]piperidino]nicotinic acid Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NN=C(N2CC3=CC=CC=C3)CN4CCOCC4)C5=C(C=CC=N5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NN=C(N2CC3=CC=CC=C3)CN4CCOCC4)C5=C(C=CC=N5)C(=O)O

InChI

InChI=1S/C25H30N6O3/c32-25(33)21-7-4-10-26-24(21)30-11-8-20(9-12-30)23-28-27-22(18-29-13-15-34-16-14-29)31(23)17-19-5-2-1-3-6-19/h1-7,10,20H,8-9,11-18H2,(H,32,33)