2-[4-[2-[(diphenylmethyl)amino]ethanoyl]piperazin-1-yl]-2-(2-ethylpyridin-3-yl)ethanenitrile

Systemtic Name: 2-[4-[2-[(diphenylmethyl)amino]ethanoyl]piperazin-1-yl]-2-(2-ethylpyridin-3-yl)ethanenitrile Openeye Name: 2-[4-[2-(benzhydrylamino)acetyl]piperazin-1-yl]-2-(2-ethyl-3-pyridyl)acetonitrile CAS Name: 2-[4-[2-[(diphenylmethyl)amino]-1-oxoethyl]-1-piperazinyl]-2-(2-ethyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[2-(benzhydrylamino)acetyl]piperazin-1-yl]-2-(2-ethylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-[2-(benzhydrylamino)acetyl]piperazino]-2-(2-ethyl-3-pyridyl)acetonitrile Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CNC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CNC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N5O/c1-2-25-24(14-9-15-30-25)26(20-29)32-16-18-33(19-17-32)27(34)21-31-28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,26,28,31H,2,16-19,21H2,1H3