1-(2-morpholin-4-ylethyl)-N-[1-(phenylmethyl)piperidin-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(2-morpholin-4-ylethyl)-N-[1-(phenylmethyl)piperidin-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(1-benzyl-3-piperidyl)-1-(2-morpholinoethyl)triazole-4-carboxamide CAS Name: 1-[2-(4-morpholinyl)ethyl]-N-[1-(phenylmethyl)-3-piperidinyl]-4-triazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-3-yl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide Traditional Name: N-(1-benzyl-3-piperidyl)-1-(2-morpholinoethyl)triazole-4-carboxamide Formula: C21H30N6O2 MolecularWeight: 398.5019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)NC(=O)C3=CN(N=N3)CCN4CCOCC4

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)NC(=O)C3=CN(N=N3)CCN4CCOCC4

InChI

InChI=1S/C21H30N6O2/c28-21(20-17-27(24-23-20)10-9-25-11-13-29-14-12-25)22-19-7-4-8-26(16-19)15-18-5-2-1-3-6-18/h1-3,5-6,17,19H,4,7-16H2,(H,22,28)