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

Systemtic Name: 2-[4-[2-[(6-butoxypyridin-3-yl)amino]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-[(6-butoxy-3-pyridyl)amino]acetyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-[(6-butoxy-3-pyridinyl)amino]-1-oxoethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-[(6-butoxypyridin-3-yl)amino]acetyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-[(6-butoxy-3-pyridyl)amino]acetyl]piperazino]nicotinonitrile Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-2-3-13-29-19-7-6-18(15-25-19)24-16-20(28)26-9-11-27(12-10-26)21-17(14-22)5-4-8-23-21/h4-8,15,24H,2-3,9-13,16H2,1H3