1-(2-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(2-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 1-(2-bromophenyl)-2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile CAS Name: 1-(2-bromophenyl)-2-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(2-bromophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile Traditional Name: 1-(2-bromophenyl)-2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile Formula: C25H23BrN4O MolecularWeight: 475.38032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=C(C=CN3C4=CC=CC=C4Br)C#N

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=C(C=CN3C4=CC=CC=C4Br)C#N

InChI

InChI=1S/C25H23BrN4O/c26-22-10-4-5-11-23(22)30-14-12-21(19-27)24(30)25(31)29-17-15-28(16-18-29)13-6-9-20-7-2-1-3-8-20/h1-12,14H,13,15-18H2/b9-6+