3-[(heptan-2-ylamino)methyl]benzenecarbonitrile

Systemtic Name: 3-[(heptan-2-ylamino)methyl]benzenecarbonitrile Openeye Name: 3-[(1-methylhexylamino)methyl]benzonitrile CAS Name: 3-[(heptan-2-ylamino)methyl]benzonitrile IUPAC Name: 3-[(heptan-2-ylamino)methyl]benzonitrile Traditional Name: 3-[(1-methylhexylamino)methyl]benzonitrile Formula: C15H22N2 MolecularWeight: 230.34858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NCC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCCC(C)NCC1=CC=CC(=C1)C#N

InChI

InChI=1S/C15H22N2/c1-3-4-5-7-13(2)17-12-15-9-6-8-14(10-15)11-16/h6,8-10,13,17H,3-5,7,12H2,1-2H3