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

Systemtic Name: 4-[(octan-2-ylamino)methyl]benzenecarbonitrile Openeye Name: 4-[(1-methylheptylamino)methyl]benzonitrile CAS Name: 4-[(octan-2-ylamino)methyl]benzonitrile IUPAC Name: 4-[(octan-2-ylamino)methyl]benzonitrile Traditional Name: 4-[(1-methylheptylamino)methyl]benzonitrile Formula: C16H24N2 MolecularWeight: 244.37516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2/c1-3-4-5-6-7-14(2)18-13-16-10-8-15(12-17)9-11-16/h8-11,14,18H,3-7,13H2,1-2H3