4-[[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]piperazino]methyl]benzonitrile Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22BrN3O2/c1-28-21-8-7-20(23)14-19(21)6-9-22(27)26-12-10-25(11-13-26)16-18-4-2-17(15-24)3-5-18/h2-9,14H,10-13,16H2,1H3/b9-6+