3-isocyano-N-methyl-N-(phenylmethyl)propan-1-amine

Systemtic Name: 3-isocyano-N-methyl-N-(phenylmethyl)propan-1-amine Openeye Name: N-benzyl-3-isocyano-N-methyl-propan-1-amine CAS Name: 3-isocyano-N-methyl-N-(phenylmethyl)-1-propanamine IUPAC Name: N-benzyl-3-isocyano-N-methylpropan-1-amine Traditional Name: benzyl-(3-isocyanopropyl)-methyl-amine Formula: C12H16N2 MolecularWeight: 188.26884

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[N+]#[C-])CC1=CC=CC=C1

Isomeric SMILES

CN(CCC[N+]#[C-])CC1=CC=CC=C1

InChI

InChI=1S/C12H16N2/c1-13-9-6-10-14(2)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,2H3