2-(3-piperazin-1-yl-4-pyridin-2-yl-but-1-ynyl)pyridin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC2=CC=CC=N2)C#CC3=NC=CC(=C3)N

Isomeric SMILES

C1CN(CCN1)C(CC2=CC=CC=N2)C#CC3=NC=CC(=C3)N

InChI

InChI=1S/C18H21N5/c19-15-6-8-22-17(13-15)4-5-18(23-11-9-20-10-12-23)14-16-3-1-2-7-21-16/h1-3,6-8,13,18,20H,9-12,14H2,(H2,19,22)