2-[1-(benzotriazol-1-yl)butyl-octyl-amino]ethanenitrile

Systemtic Name: 2-[1-(benzotriazol-1-yl)butyl-octyl-amino]ethanenitrile Openeye Name: 2-[1-(benzotriazol-1-yl)butyl-octyl-amino]acetonitrile CAS Name: 2-[1-(1-benzotriazolyl)butyl-octylamino]acetonitrile IUPAC Name: 2-[1-(benzotriazol-1-yl)butyl-octylamino]acetonitrile Traditional Name: 2-[1-(benzotriazol-1-yl)butyl-octyl-amino]acetonitrile Formula: C20H31N5 MolecularWeight: 341.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC#N)C(CCC)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CCCCCCCCN(CC#N)C(CCC)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C20H31N5/c1-3-5-6-7-8-11-16-24(17-15-21)20(12-4-2)25-19-14-10-9-13-18(19)22-23-25/h9-10,13-14,20H,3-8,11-12,16-17H2,1-2H3