2-[(2-bromophenyl)methyl-prop-2-enyl-amino]-2-(2-ethynylphenyl)ethanenitrile

Systemtic Name: 2-[(2-bromophenyl)methyl-prop-2-enyl-amino]-2-(2-ethynylphenyl)ethanenitrile Openeye Name: 2-[allyl-[(2-bromophenyl)methyl]amino]-2-(2-ethynylphenyl)acetonitrile CAS Name: 2-[(2-bromophenyl)methyl-prop-2-enylamino]-2-(2-ethynylphenyl)acetonitrile IUPAC Name: 2-[(2-bromophenyl)methyl-prop-2-enylamino]-2-(2-ethynylphenyl)acetonitrile Traditional Name: 2-[allyl-(2-bromobenzyl)amino]-2-(2-ethynylphenyl)acetonitrile Formula: C20H17BrN2 MolecularWeight: 365.26638

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CC=C1Br)C(C#N)C2=CC=CC=C2C#C

Isomeric SMILES

C=CCN(CC1=CC=CC=C1Br)C(C#N)C2=CC=CC=C2C#C

InChI

InChI=1S/C20H17BrN2/c1-3-13-23(15-17-10-6-8-12-19(17)21)20(14-22)18-11-7-5-9-16(18)4-2/h2-3,5-12,20H,1,13,15H2