2-[(4-bromophenyl)amino]-2-pyridin-3-yl-pentanenitrile

Systemtic Name: 2-[(4-bromophenyl)amino]-2-pyridin-3-yl-pentanenitrile Openeye Name: 2-(4-bromoanilino)-2-(3-pyridyl)pentanenitrile CAS Name: 2-(4-bromoanilino)-2-(3-pyridinyl)pentanenitrile IUPAC Name: 2-(4-bromoanilino)-2-pyridin-3-ylpentanenitrile Traditional Name: 2-(4-bromoanilino)-2-(3-pyridyl)valeronitrile Formula: C16H16BrN3 MolecularWeight: 330.22234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)(C1=CN=CC=C1)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCC(C#N)(C1=CN=CC=C1)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrN3/c1-2-9-16(12-18,13-4-3-10-19-11-13)20-15-7-5-14(17)6-8-15/h3-8,10-11,20H,2,9H2,1H3