1-phenyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]triazole-4-carboxamide CAS Name: 1-phenyl-N-[3-(1-pyrrolidinylmethyl)phenyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]triazole-4-carboxamide Traditional Name: 1-phenyl-N-[3-(pyrrolidinomethyl)phenyl]triazole-4-carboxamide Formula: C20H21N5O MolecularWeight: 347.41364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O/c26-20(19-15-25(23-22-19)18-9-2-1-3-10-18)21-17-8-6-7-16(13-17)14-24-11-4-5-12-24/h1-3,6-10,13,15H,4-5,11-12,14H2,(H,21,26)