2-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-1-(4-methylphenyl)pyrrole-3-carbonitrile

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-1-(4-methylphenyl)pyrrole-3-carbonitrile Openeye Name: 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(p-tolyl)pyrrole-3-carbonitrile CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-1-(4-methylphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-o-phenetylpiperazine-1-carbonyl)-1-(p-tolyl)pyrrole-3-carbonitrile Formula: C25H26N4O2 MolecularWeight: 414.49954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CN3C4=CC=C(C=C4)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CN3C4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C25H26N4O2/c1-3-31-23-7-5-4-6-22(23)27-14-16-28(17-15-27)25(30)24-20(18-26)12-13-29(24)21-10-8-19(2)9-11-21/h4-13H,3,14-17H2,1-2H3