3-but-1-ynyl-5-piperazin-1-yl-4-pyridin-2-yl-pyridin-2-amine

Systemtic Name: 3-but-1-ynyl-5-piperazin-1-yl-4-pyridin-2-yl-pyridin-2-amine Openeye Name: 3-but-1-ynyl-5-piperazin-1-yl-4-(2-pyridyl)pyridin-2-amine CAS Name: 3-but-1-ynyl-5-(1-piperazinyl)-4-(2-pyridinyl)-2-pyridinamine IUPAC Name: 3-but-1-ynyl-5-piperazin-1-yl-4-pyridin-2-ylpyridin-2-amine Traditional Name: [3-but-1-ynyl-5-piperazino-4-(2-pyridyl)-2-pyridyl]amine Formula: C18H21N5 MolecularWeight: 307.39284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=C(C(=CN=C1N)N2CCNCC2)C3=CC=CC=N3

Isomeric SMILES

CCC#CC1=C(C(=CN=C1N)N2CCNCC2)C3=CC=CC=N3

InChI

InChI=1S/C18H21N5/c1-2-3-6-14-17(15-7-4-5-8-21-15)16(13-22-18(14)19)23-11-9-20-10-12-23/h4-5,7-8,13,20H,2,9-12H2,1H3,(H2,19,22)