3-[(4-hexylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-hexylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-hexylpiperazin-1-yl)methyl]benzonitrile CAS Name: 3-[(4-hexyl-1-piperazinyl)methyl]benzonitrile IUPAC Name: 3-[(4-hexylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-hexylpiperazino)methyl]benzonitrile Formula: C18H27N3 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(CC1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCCCN1CCN(CC1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H27N3/c1-2-3-4-5-9-20-10-12-21(13-11-20)16-18-8-6-7-17(14-18)15-19/h6-8,14H,2-5,9-13,16H2,1H3