3-[1-(octan-2-ylamino)ethyl]benzenecarbonitrile

Systemtic Name: 3-[1-(octan-2-ylamino)ethyl]benzenecarbonitrile Openeye Name: 3-[1-(1-methylheptylamino)ethyl]benzonitrile CAS Name: 3-[1-(octan-2-ylamino)ethyl]benzonitrile IUPAC Name: 3-[1-(octan-2-ylamino)ethyl]benzonitrile Traditional Name: 3-[1-(1-methylheptylamino)ethyl]benzonitrile Formula: C17H26N2 MolecularWeight: 258.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(C)C1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCCCC(C)NC(C)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C17H26N2/c1-4-5-6-7-9-14(2)19-15(3)17-11-8-10-16(12-17)13-18/h8,10-12,14-15,19H,4-7,9H2,1-3H3