4-[(3-methylbutylamino)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-methylbutylamino)methyl]benzenecarbonitrile Openeye Name: 4-[(isopentylamino)methyl]benzonitrile CAS Name: 4-[(3-methylbutylamino)methyl]benzonitrile IUPAC Name: 4-[(3-methylbutylamino)methyl]benzonitrile Traditional Name: 4-[(isoamylamino)methyl]benzonitrile Formula: C13H18N2 MolecularWeight: 202.29542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)CCNCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H18N2/c1-11(2)7-8-15-10-13-5-3-12(9-14)4-6-13/h3-6,11,15H,7-8,10H2,1-2H3