(E)-3-[3-bromanyl-4-(cyanomethoxy)phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-bromanyl-4-(cyanomethoxy)phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-bromo-4-(cyanomethoxy)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-bromo-4-(cyanomethoxy)phenyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[3-bromo-4-(cyanomethoxy)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-bromo-4-(cyanomethoxy)phenyl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C22H19BrN4O2 MolecularWeight: 451.31586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC(=C(C=C3)OCC#N)Br)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC(=C(C=C3)OCC#N)Br)/C#N

InChI

InChI=1S/C22H19BrN4O2/c23-20-15-17(6-7-21(20)29-13-8-24)14-18(16-25)22(28)27-11-9-26(10-12-27)19-4-2-1-3-5-19/h1-7,14-15H,9-13H2/b18-14+