2-[4-[2-[(6-butoxypyridin-3-yl)-methyl-amino]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-[(6-butoxypyridin-3-yl)-methyl-amino]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-[(6-butoxy-3-pyridyl)-methyl-amino]acetyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-[(6-butoxy-3-pyridinyl)-methylamino]-1-oxoethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-[(6-butoxypyridin-3-yl)-methylamino]acetyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-[(6-butoxy-3-pyridyl)-methyl-amino]acetyl]piperazino]nicotinonitrile Formula: C22H28N6O2 MolecularWeight: 408.49672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1)N(C)CC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CCCCOC1=NC=C(C=C1)N(C)CC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C22H28N6O2/c1-3-4-14-30-20-8-7-19(16-25-20)26(2)17-21(29)27-10-12-28(13-11-27)22-18(15-23)6-5-9-24-22/h5-9,16H,3-4,10-14,17H2,1-2H3