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

Systemtic Name: 3-[1-(heptan-2-ylamino)ethyl]benzenecarbonitrile Openeye Name: 3-[1-(1-methylhexylamino)ethyl]benzonitrile CAS Name: 3-[1-(heptan-2-ylamino)ethyl]benzonitrile IUPAC Name: 3-[1-(heptan-2-ylamino)ethyl]benzonitrile Traditional Name: 3-[1-(1-methylhexylamino)ethyl]benzonitrile Formula: C16H24N2 MolecularWeight: 244.37516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2/c1-4-5-6-8-13(2)18-14(3)16-10-7-9-15(11-16)12-17/h7,9-11,13-14,18H,4-6,8H2,1-3H3