4-[[4-[2-[(4-ethoxyphenyl)amino]pyridin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(4-ethoxyphenyl)amino]pyridin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(4-ethoxyanilino)-3-pyridinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(p-phenetidino)nicotinoyl]piperazino]methyl]benzonitrile Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H27N5O2/c1-2-33-23-11-9-22(10-12-23)29-25-24(4-3-13-28-25)26(32)31-16-14-30(15-17-31)19-21-7-5-20(18-27)6-8-21/h3-13H,2,14-17,19H2,1H3,(H,28,29)