3-[(2,4,5-trimethylphenyl)methylamino]propanenitrile

Systemtic Name: 3-[(2,4,5-trimethylphenyl)methylamino]propanenitrile Openeye Name: 3-[(2,4,5-trimethylphenyl)methylamino]propanenitrile CAS Name: 3-[(2,4,5-trimethylphenyl)methylamino]propanenitrile IUPAC Name: 3-[(2,4,5-trimethylphenyl)methylamino]propanenitrile Traditional Name: 3-[(2,4,5-trimethylbenzyl)amino]propionitrile Formula: C13H18N2 MolecularWeight: 202.29542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CNCCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1C)CNCCC#N)C

InChI

InChI=1S/C13H18N2/c1-10-7-12(3)13(8-11(10)2)9-15-6-4-5-14/h7-8,15H,4,6,9H2,1-3H3