3-bromanyl-4-[(2-prop-2-ynoxyphenyl)methylamino]benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-[(2-prop-2-ynoxyphenyl)methylamino]benzenecarbonitrile Openeye Name: 3-bromo-4-[(2-prop-2-ynoxyphenyl)methylamino]benzonitrile CAS Name: 3-bromo-4-[(2-prop-2-ynoxyphenyl)methylamino]benzonitrile IUPAC Name: 3-bromo-4-[(2-prop-2-ynoxyphenyl)methylamino]benzonitrile Traditional Name: 3-bromo-4-[(2-propargyloxybenzyl)amino]benzonitrile Formula: C17H13BrN2O MolecularWeight: 341.20192

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1CNC2=C(C=C(C=C2)C#N)Br

Isomeric SMILES

C#CCOC1=CC=CC=C1CNC2=C(C=C(C=C2)C#N)Br

InChI

InChI=1S/C17H13BrN2O/c1-2-9-21-17-6-4-3-5-14(17)12-20-16-8-7-13(11-19)10-15(16)18/h1,3-8,10,20H,9,12H2