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

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-1-(4-ethylphenyl)pyrrole-3-carbonitrile Openeye Name: 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(4-ethylphenyl)pyrrole-3-carbonitrile CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-1-(4-ethylphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(4-ethylphenyl)pyrrole-3-carbonitrile Traditional Name: 1-(4-ethylphenyl)-2-(4-o-phenetylpiperazine-1-carbonyl)pyrrole-3-carbonitrile Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC=C4OCC)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC=C4OCC)C#N

InChI

InChI=1S/C26H28N4O2/c1-3-20-9-11-22(12-10-20)30-14-13-21(19-27)25(30)26(31)29-17-15-28(16-18-29)23-7-5-6-8-24(23)32-4-2/h5-14H,3-4,15-18H2,1-2H3