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

Systemtic Name: 3-[(octan-2-ylamino)methyl]benzenecarbonitrile Openeye Name: 3-[(1-methylheptylamino)methyl]benzonitrile CAS Name: 3-[(octan-2-ylamino)methyl]benzonitrile IUPAC Name: 3-[(octan-2-ylamino)methyl]benzonitrile Traditional Name: 3-[(1-methylheptylamino)methyl]benzonitrile Formula: C16H24N2 MolecularWeight: 244.37516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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