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

Systemtic Name: 4-[(pentan-2-ylamino)methyl]benzenecarbonitrile Openeye Name: 4-[(1-methylbutylamino)methyl]benzonitrile CAS Name: 4-[(pentan-2-ylamino)methyl]benzonitrile IUPAC Name: 4-[(pentan-2-ylamino)methyl]benzonitrile Traditional Name: 4-[(1-methylbutylamino)methyl]benzonitrile Formula: C13H18N2 MolecularWeight: 202.29542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2/c1-3-4-11(2)15-10-13-7-5-12(9-14)6-8-13/h5-8,11,15H,3-4,10H2,1-2H3