2-[(2,4,5-trimethoxyphenyl)methylamino]benzenecarbonitrile

Systemtic Name: 2-[(2,4,5-trimethoxyphenyl)methylamino]benzenecarbonitrile Openeye Name: 2-[(2,4,5-trimethoxyphenyl)methylamino]benzonitrile CAS Name: 2-[(2,4,5-trimethoxyphenyl)methylamino]benzonitrile IUPAC Name: 2-[(2,4,5-trimethoxyphenyl)methylamino]benzonitrile Traditional Name: 2-[(2,4,5-trimethoxybenzyl)amino]benzonitrile Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=CC=CC=C2C#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=CC=CC=C2C#N)OC)OC

InChI

InChI=1S/C17H18N2O3/c1-20-15-9-17(22-3)16(21-2)8-13(15)11-19-14-7-5-4-6-12(14)10-18/h4-9,19H,11H2,1-3H3