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

Systemtic Name: 4-[(heptan-2-ylamino)methyl]benzenecarbonitrile Openeye Name: 4-[(1-methylhexylamino)methyl]benzonitrile CAS Name: 4-[(heptan-2-ylamino)methyl]benzonitrile IUPAC Name: 4-[(heptan-2-ylamino)methyl]benzonitrile Traditional Name: 4-[(1-methylhexylamino)methyl]benzonitrile Formula: C15H22N2 MolecularWeight: 230.34858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2/c1-3-4-5-6-13(2)17-12-15-9-7-14(11-16)8-10-15/h7-10,13,17H,3-6,12H2,1-2H3