2-[4,5-dimethoxy-2-[(phenylmethyl)amino]phenyl]ethanenitrile

Systemtic Name: 2-[4,5-dimethoxy-2-[(phenylmethyl)amino]phenyl]ethanenitrile Openeye Name: 2-[2-(benzylamino)-4,5-dimethoxy-phenyl]acetonitrile CAS Name: 2-[4,5-dimethoxy-2-[(phenylmethyl)amino]phenyl]acetonitrile IUPAC Name: 2-[2-(benzylamino)-4,5-dimethoxyphenyl]acetonitrile Traditional Name: 2-[2-(benzylamino)-4,5-dimethoxy-phenyl]acetonitrile Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC#N)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC#N)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C17H18N2O2/c1-20-16-10-14(8-9-18)15(11-17(16)21-2)19-12-13-6-4-3-5-7-13/h3-7,10-11,19H,8,12H2,1-2H3