N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-pyrrolidin-1-yl-propyl]aniline

Systemtic Name: N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-pyrrolidin-1-yl-propyl]aniline Openeye Name: N-[1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]-3-pyrrolidin-1-yl-propyl]aniline CAS Name: N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-(1-pyrrolidinyl)propyl]aniline IUPAC Name: N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-3-pyrrolidin-1-ylpropyl]aniline Traditional Name: phenyl-[1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]-3-pyrrolidino-propyl]amine Formula: C20H24N6 MolecularWeight: 348.44476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(C2=NC(=NN2)C3=CC=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCC(C2=NC(=NN2)C3=CC=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C20H24N6/c1-2-6-17(7-3-1)22-18(10-15-26-13-4-5-14-26)20-23-19(24-25-20)16-8-11-21-12-9-16/h1-3,6-9,11-12,18,22H,4-5,10,13-15H2,(H,23,24,25)